{"id":"https://openalex.org/W4400007971","doi":"https://doi.org/10.1021/acs.jcim.4c00601","title":"Subpocket Similarity-Based Hit Identification for Challenging Targets: Application to the WDR Domain of LRRK2","display_name":"Subpocket Similarity-Based Hit Identification for Challenging Targets: Application to the WDR Domain of LRRK2","publication_year":2024,"publication_date":"2024-06-25","ids":{"openalex":"https://openalex.org/W4400007971","doi":"https://doi.org/10.1021/acs.jcim.4c00601","pmid":"https://pubmed.ncbi.nlm.nih.gov/38916159"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.4c00601","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c00601","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://hal.science/hal-04791542/document","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5020612989","display_name":"Merveille Eguida","orcid":"https://orcid.org/0000-0002-0976-0239"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I68947357","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24","country_code":"FR","type":"education","lineage":["https://openalex.org/I68947357"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Merveille Eguida","raw_affiliation_strings":["Laboratoire d\u2019innovation th\u00e9rapeutique, UMR7200 CNRS-Universit\u00e9 de Strasbourg, F-67400 Illkirch, Strasbourg, France"],"affiliations":[{"raw_affiliation_string":"Laboratoire d\u2019innovation th\u00e9rapeutique, UMR7200 CNRS-Universit\u00e9 de Strasbourg, F-67400 Illkirch, Strasbourg, France","institution_ids":["https://openalex.org/I68947357","https://openalex.org/I1294671590"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077272199","display_name":"Guillaume Bret","orcid":"https://orcid.org/0000-0001-5434-0906"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I68947357","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24","country_code":"FR","type":"education","lineage":["https://openalex.org/I68947357"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Guillaume Bret","raw_affiliation_strings":["Laboratoire d\u2019innovation th\u00e9rapeutique, UMR7200 CNRS-Universit\u00e9 de Strasbourg, F-67400 Illkirch, Strasbourg, France"],"affiliations":[{"raw_affiliation_string":"Laboratoire d\u2019innovation th\u00e9rapeutique, UMR7200 CNRS-Universit\u00e9 de Strasbourg, F-67400 Illkirch, Strasbourg, France","institution_ids":["https://openalex.org/I68947357","https://openalex.org/I1294671590"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5093707404","display_name":"Fran\u00e7ois Sindt","orcid":null},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I68947357","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24","country_code":"FR","type":"education","lineage":["https://openalex.org/I68947357"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Fran\u00e7ois Sindt","raw_affiliation_strings":["Laboratoire d\u2019innovation th\u00e9rapeutique, UMR7200 CNRS-Universit\u00e9 de Strasbourg, F-67400 Illkirch, Strasbourg, France"],"affiliations":[{"raw_affiliation_string":"Laboratoire d\u2019innovation th\u00e9rapeutique, UMR7200 CNRS-Universit\u00e9 de Strasbourg, F-67400 Illkirch, Strasbourg, France","institution_ids":["https://openalex.org/I68947357","https://openalex.org/I1294671590"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073439690","display_name":"Fengling Li","orcid":"https://orcid.org/0000-0002-7962-9033"},"institutions":[{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]},{"id":"https://openalex.org/I2803004491","display_name":"Structural Genomics Consortium","ror":"https://ror.org/04jzps455","country_code":"CA","type":"nonprofit","lineage":["https://openalex.org/I2803004491"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Fengling Li","raw_affiliation_strings":["Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","University Health Network, Toronto, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I2803004491","https://openalex.org/I185261750"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I185261750","https://openalex.org/I2803004491"]},{"raw_affiliation_string":"University Health Network, Toronto, Ontario, Canada","institution_ids":["https://openalex.org/I1325899441"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021530149","display_name":"Irene Chau","orcid":"https://orcid.org/0000-0002-2313-973X"},"institutions":[{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]},{"id":"https://openalex.org/I2803004491","display_name":"Structural Genomics Consortium","ror":"https://ror.org/04jzps455","country_code":"CA","type":"nonprofit","lineage":["https://openalex.org/I2803004491"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Irene Chau","raw_affiliation_strings":["Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","University Health Network, Toronto, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I2803004491","https://openalex.org/I185261750"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I185261750","https://openalex.org/I2803004491"]},{"raw_affiliation_string":"University Health Network, Toronto, Ontario, Canada","institution_ids":["https://openalex.org/I1325899441"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090300651","display_name":"Suzanne Ackloo","orcid":"https://orcid.org/0000-0002-9696-1839"},"institutions":[{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]},{"id":"https://openalex.org/I2803004491","display_name":"Structural Genomics Consortium","ror":"https://ror.org/04jzps455","country_code":"CA","type":"nonprofit","lineage":["https://openalex.org/I2803004491"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Suzanne Ackloo","raw_affiliation_strings":["Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","University Health Network, Toronto, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I2803004491","https://openalex.org/I185261750"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I185261750","https://openalex.org/I2803004491"]},{"raw_affiliation_string":"University Health Network, Toronto, Ontario, Canada","institution_ids":["https://openalex.org/I1325899441"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012117525","display_name":"C.H. Arrowsmith","orcid":"https://orcid.org/0000-0002-4971-3250"},"institutions":[{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]},{"id":"https://openalex.org/I2803004491","display_name":"Structural Genomics Consortium","ror":"https://ror.org/04jzps455","country_code":"CA","type":"nonprofit","lineage":["https://openalex.org/I2803004491"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Cheryl Arrowsmith","raw_affiliation_strings":["Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 1L7, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,"],"affiliations":[{"raw_affiliation_string":"Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 1L7, Canada","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I1325899441"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I2803004491","https://openalex.org/I185261750"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I185261750","https://openalex.org/I2803004491"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019553038","display_name":"Albina Bolotokova","orcid":null},"institutions":[{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]},{"id":"https://openalex.org/I2803004491","display_name":"Structural Genomics Consortium","ror":"https://ror.org/04jzps455","country_code":"CA","type":"nonprofit","lineage":["https://openalex.org/I2803004491"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Albina Bolotokova","raw_affiliation_strings":["Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","University Health Network, Toronto, Ontario, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,"],"affiliations":[{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I2803004491","https://openalex.org/I185261750"]},{"raw_affiliation_string":"University Health Network, Toronto, Ontario, Canada","institution_ids":["https://openalex.org/I1325899441"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I185261750","https://openalex.org/I2803004491"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079508735","display_name":"Pegah Ghiabi","orcid":null},"institutions":[{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]},{"id":"https://openalex.org/I2803004491","display_name":"Structural Genomics Consortium","ror":"https://ror.org/04jzps455","country_code":"CA","type":"nonprofit","lineage":["https://openalex.org/I2803004491"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Pegah Ghiabi","raw_affiliation_strings":["Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","University Health Network, Toronto, Ontario, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,"],"affiliations":[{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I2803004491","https://openalex.org/I185261750"]},{"raw_affiliation_string":"University Health Network, Toronto, Ontario, Canada","institution_ids":["https://openalex.org/I1325899441"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I185261750","https://openalex.org/I2803004491"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046107533","display_name":"Elisa Gibson","orcid":"https://orcid.org/0000-0002-7112-337X"},"institutions":[{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]},{"id":"https://openalex.org/I2803004491","display_name":"Structural Genomics Consortium","ror":"https://ror.org/04jzps455","country_code":"CA","type":"nonprofit","lineage":["https://openalex.org/I2803004491"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Elisa Gibson","raw_affiliation_strings":["Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","University Health Network, Toronto, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I2803004491","https://openalex.org/I185261750"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I185261750","https://openalex.org/I2803004491"]},{"raw_affiliation_string":"University Health Network, Toronto, Ontario, Canada","institution_ids":["https://openalex.org/I1325899441"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014976573","display_name":"Levon Halabelian","orcid":"https://orcid.org/0000-0003-4361-3619"},"institutions":[{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]},{"id":"https://openalex.org/I2803004491","display_name":"Structural Genomics Consortium","ror":"https://ror.org/04jzps455","country_code":"CA","type":"nonprofit","lineage":["https://openalex.org/I2803004491"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Levon Halabelian","raw_affiliation_strings":["Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 1L7, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,"],"affiliations":[{"raw_affiliation_string":"Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 1L7, Canada","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I1325899441"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I2803004491","https://openalex.org/I185261750"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I185261750","https://openalex.org/I2803004491"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059588794","display_name":"Scott Houliston","orcid":"https://orcid.org/0000-0002-0113-0339"},"institutions":[{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Scott Houliston","raw_affiliation_strings":["Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 1L7, Canada"],"affiliations":[{"raw_affiliation_string":"Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 1L7, Canada","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I1325899441"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049309872","display_name":"Rachel Harding","orcid":"https://orcid.org/0000-0002-1134-391X"},"institutions":[{"id":"https://openalex.org/I124055696","display_name":"University of Copenhagen","ror":"https://ror.org/035b05819","country_code":"DK","type":"education","lineage":["https://openalex.org/I124055696"]},{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]},{"id":"https://openalex.org/I2803004491","display_name":"Structural Genomics Consortium","ror":"https://ror.org/04jzps455","country_code":"CA","type":"nonprofit","lineage":["https://openalex.org/I2803004491"]}],"countries":["CA","DK"],"is_corresponding":false,"raw_author_name":"Rachel J. Harding","raw_affiliation_strings":["Department of Pharmacology & Toxicology, University of Toronto, Toronto, ON M5G 1L7, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","University Health Network, Toronto, Ontario, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","Department of Pharmacology & Toxicology, University of Toronto # Current address: Amgen Research Copenhagen, 2100 Copenhagen, Denmark"],"affiliations":[{"raw_affiliation_string":"Department of Pharmacology & Toxicology, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I185261750"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I2803004491","https://openalex.org/I185261750"]},{"raw_affiliation_string":"University Health Network, Toronto, Ontario, Canada","institution_ids":["https://openalex.org/I1325899441"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I185261750","https://openalex.org/I2803004491"]},{"raw_affiliation_string":"Department of Pharmacology & Toxicology, University of Toronto # Current address: Amgen Research Copenhagen, 2100 Copenhagen, Denmark","institution_ids":["https://openalex.org/I124055696"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103231371","display_name":"Ashley Hutchinson","orcid":"https://orcid.org/0000-0002-3481-8025"},"institutions":[{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]},{"id":"https://openalex.org/I2803004491","display_name":"Structural Genomics Consortium","ror":"https://ror.org/04jzps455","country_code":"CA","type":"nonprofit","lineage":["https://openalex.org/I2803004491"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Ashley Hutchinson","raw_affiliation_strings":["Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","University Health Network, Toronto, Ontario, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,"],"affiliations":[{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I2803004491","https://openalex.org/I185261750"]},{"raw_affiliation_string":"University Health Network, Toronto, Ontario, Canada","institution_ids":["https://openalex.org/I1325899441"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I185261750","https://openalex.org/I2803004491"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011736665","display_name":"P. Loppnau","orcid":"https://orcid.org/0009-0004-0002-355X"},"institutions":[{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]},{"id":"https://openalex.org/I2803004491","display_name":"Structural Genomics Consortium","ror":"https://ror.org/04jzps455","country_code":"CA","type":"nonprofit","lineage":["https://openalex.org/I2803004491"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Peter Loppnau","raw_affiliation_strings":["Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","University Health Network, Toronto, Ontario, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,"],"affiliations":[{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I2803004491","https://openalex.org/I185261750"]},{"raw_affiliation_string":"University Health Network, Toronto, Ontario, Canada","institution_ids":["https://openalex.org/I1325899441"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I185261750","https://openalex.org/I2803004491"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013789804","display_name":"Sumera Perveen","orcid":"https://orcid.org/0000-0002-8898-9540"},"institutions":[{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]},{"id":"https://openalex.org/I2803004491","display_name":"Structural Genomics Consortium","ror":"https://ror.org/04jzps455","country_code":"CA","type":"nonprofit","lineage":["https://openalex.org/I2803004491"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Sumera Perveen","raw_affiliation_strings":["Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","University Health Network, Toronto, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I2803004491","https://openalex.org/I185261750"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I185261750","https://openalex.org/I2803004491"]},{"raw_affiliation_string":"University Health Network, Toronto, Ontario, Canada","institution_ids":["https://openalex.org/I1325899441"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056275534","display_name":"Almagul Seitova","orcid":null},"institutions":[{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]},{"id":"https://openalex.org/I2803004491","display_name":"Structural Genomics Consortium","ror":"https://ror.org/04jzps455","country_code":"CA","type":"nonprofit","lineage":["https://openalex.org/I2803004491"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Almagul Seitova","raw_affiliation_strings":["Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","University Health Network, Toronto, Ontario, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,"],"affiliations":[{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I2803004491","https://openalex.org/I185261750"]},{"raw_affiliation_string":"University Health Network, Toronto, Ontario, Canada","institution_ids":["https://openalex.org/I1325899441"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I185261750","https://openalex.org/I2803004491"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085180521","display_name":"Hong Zeng","orcid":null},"institutions":[{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]},{"id":"https://openalex.org/I2803004491","display_name":"Structural Genomics Consortium","ror":"https://ror.org/04jzps455","country_code":"CA","type":"nonprofit","lineage":["https://openalex.org/I2803004491"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Hong Zeng","raw_affiliation_strings":["Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","University Health Network, Toronto, Ontario, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,"],"affiliations":[{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I2803004491","https://openalex.org/I185261750"]},{"raw_affiliation_string":"University Health Network, Toronto, Ontario, Canada","institution_ids":["https://openalex.org/I1325899441"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I185261750","https://openalex.org/I2803004491"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076484281","display_name":"Matthieu Schapira","orcid":"https://orcid.org/0000-0002-1047-3309"},"institutions":[{"id":"https://openalex.org/I124055696","display_name":"University of Copenhagen","ror":"https://ror.org/035b05819","country_code":"DK","type":"education","lineage":["https://openalex.org/I124055696"]},{"id":"https://openalex.org/I1325899441","display_name":"University Health Network","ror":"https://ror.org/042xt5161","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441"]},{"id":"https://openalex.org/I185261750","display_name":"University of Toronto","ror":"https://ror.org/03dbr7087","country_code":"CA","type":"education","lineage":["https://openalex.org/I185261750"]},{"id":"https://openalex.org/I2802654988","display_name":"Princess Margaret Cancer Centre","ror":"https://ror.org/03zayce58","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I1325899441","https://openalex.org/I2802654988"]},{"id":"https://openalex.org/I2803004491","display_name":"Structural Genomics Consortium","ror":"https://ror.org/04jzps455","country_code":"CA","type":"nonprofit","lineage":["https://openalex.org/I2803004491"]}],"countries":["CA","DK"],"is_corresponding":false,"raw_author_name":"Matthieu Schapira","raw_affiliation_strings":["Department of Pharmacology & Toxicology, University of Toronto, Toronto, ON M5G 1L7, Canada","Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","Department of Pharmacology & Toxicology, University of Toronto # Current address: Amgen Research Copenhagen, 2100 Copenhagen, Denmark","Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","University Health Network, Toronto, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"Department of Pharmacology & Toxicology, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I185261750"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON M5G 1L7, Canada","institution_ids":["https://openalex.org/I2803004491","https://openalex.org/I185261750"]},{"raw_affiliation_string":"Department of Pharmacology & Toxicology, University of Toronto # Current address: Amgen Research Copenhagen, 2100 Copenhagen, Denmark","institution_ids":["https://openalex.org/I124055696"]},{"raw_affiliation_string":"Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada & Princess Margaret Cancer Centre,","institution_ids":["https://openalex.org/I2802654988","https://openalex.org/I185261750","https://openalex.org/I2803004491"]},{"raw_affiliation_string":"University Health Network, Toronto, Ontario, Canada","institution_ids":["https://openalex.org/I1325899441"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5037175705","display_name":"Didier Rognan","orcid":"https://orcid.org/0000-0002-0577-641X"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I68947357","display_name":"Universit\u00e9 de Strasbourg","ror":"https://ror.org/00pg6eq24","country_code":"FR","type":"education","lineage":["https://openalex.org/I68947357"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Didier Rognan","raw_affiliation_strings":["Laboratoire d\u2019innovation th\u00e9rapeutique, UMR7200 CNRS-Universit\u00e9 de Strasbourg, F-67400 Illkirch, Strasbourg, France"],"affiliations":[{"raw_affiliation_string":"Laboratoire d\u2019innovation th\u00e9rapeutique, UMR7200 CNRS-Universit\u00e9 de Strasbourg, F-67400 Illkirch, Strasbourg, France","institution_ids":["https://openalex.org/I68947357","https://openalex.org/I1294671590"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":20,"corresponding_author_ids":["https://openalex.org/A5020612989","https://openalex.org/A5037175705"],"corresponding_institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I68947357"],"apc_list":null,"apc_paid":null,"fwci":2.3393,"has_fulltext":true,"cited_by_count":10,"citation_normalized_percentile":{"value":0.88598997,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":99},"biblio":{"volume":"64","issue":"13","first_page":"5344","last_page":"5355"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9810000061988831,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9810000061988831,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9775000214576721,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9434999823570251,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.6971824169158936},{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.6279385089874268},{"id":"https://openalex.org/keywords/domain","display_name":"Domain (mathematical analysis)","score":0.5511349439620972},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5104824304580688},{"id":"https://openalex.org/keywords/lrrk2","display_name":"LRRK2","score":0.5052252411842346},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4955965280532837},{"id":"https://openalex.org/keywords/structural-similarity","display_name":"Structural similarity","score":0.472461462020874},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.38573727011680603},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.23989826440811157},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.11369067430496216},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.10817751288414001},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.0764995813369751}],"concepts":[{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.6971824169158936},{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.6279385089874268},{"id":"https://openalex.org/C36503486","wikidata":"https://www.wikidata.org/wiki/Q11235244","display_name":"Domain (mathematical analysis)","level":2,"score":0.5511349439620972},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5104824304580688},{"id":"https://openalex.org/C2780427247","wikidata":"https://www.wikidata.org/wiki/Q409961","display_name":"LRRK2","level":4,"score":0.5052252411842346},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4955965280532837},{"id":"https://openalex.org/C139489369","wikidata":"https://www.wikidata.org/wiki/Q770846","display_name":"Structural similarity","level":2,"score":0.472461462020874},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.38573727011680603},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.23989826440811157},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.11369067430496216},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.10817751288414001},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0764995813369751},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.0},{"id":"https://openalex.org/C501734568","wikidata":"https://www.wikidata.org/wiki/Q42918","display_name":"Mutation","level":3,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000071158","descriptor_name":"Leucine-Rich Repeat Serine-Threonine Protein Kinase-2","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D000071158","descriptor_name":"Leucine-Rich Repeat Serine-Threonine Protein Kinase-2","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D000071158","descriptor_name":"Leucine-Rich Repeat Serine-Threonine Protein Kinase-2","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D000071158","descriptor_name":"Leucine-Rich Repeat Serine-Threonine Protein Kinase-2","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D000071158","descriptor_name":"Leucine-Rich Repeat Serine-Threonine Protein Kinase-2","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D000071158","descriptor_name":"Leucine-Rich Repeat Serine-Threonine Protein Kinase-2","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D000071158","descriptor_name":"Leucine-Rich Repeat Serine-Threonine Protein Kinase-2","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000071158","descriptor_name":"Leucine-Rich Repeat Serine-Threonine Protein Kinase-2","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000071158","descriptor_name":"Leucine-Rich Repeat Serine-Threonine Protein Kinase-2","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000071678","descriptor_name":"WD40 Repeats","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000071678","descriptor_name":"WD40 Repeats","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000071678","descriptor_name":"WD40 Repeats","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000072417","descriptor_name":"Protein Domains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000072417","descriptor_name":"Protein Domains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000072417","descriptor_name":"Protein Domains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":5,"locations":[{"id":"doi:10.1021/acs.jcim.4c00601","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c00601","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:38916159","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38916159","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:HAL:hal-04791542v1","is_oa":true,"landing_page_url":"https://hal.science/hal-04791542v1/file/revised%20%20manuscript.pdf","pdf_url":"https://hal.science/hal-04791542/document","source":{"id":"https://openalex.org/S4406922466","display_name":"SPIRE - Sciences Po Institutional REpository","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Chemical Information and Modeling, 2024, 64 (13), pp.5344 - 5355. &#x27E8;10.1021/acs.jcim.4c00601&#x27E9;","raw_type":"Journal articles"},{"id":"pmh:oai:HAL:hal-04629942v1","is_oa":false,"landing_page_url":"https://hal.science/hal-04629942","pdf_url":null,"source":{"id":"https://openalex.org/S4406922466","display_name":"SPIRE - Sciences Po Institutional REpository","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Chemical Information and Modeling, 2024, &#x27E8;10.1021/acs.jcim.4c00601&#x27E9;","raw_type":"Journal articles"},{"id":"pmh:oai:univoak.eu:islandora_171327","is_oa":true,"landing_page_url":"https://pubs.acs.org/doi/10.1021/acs.jcim.4c00601","pdf_url":null,"source":{"id":"https://openalex.org/S4306402449","display_name":"univOAK (4 institutions : Universit\u00e9 de Strasbourg, Universit\u00e9 de Haute Alsace, INSA Strasbourg, Biblioth\u00e8que Nationale et Universitaire de Strasbourg)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210100283","host_organization_name":"Laboratoire des Sciences de l'Ing\u00e9nieur, de l'Informatique et de l'Imagerie","host_organization_lineage":["https://openalex.org/I4210100283"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"pmh:oai:HAL:hal-04791542v1","is_oa":true,"landing_page_url":"https://hal.science/hal-04791542v1/file/revised%20%20manuscript.pdf","pdf_url":"https://hal.science/hal-04791542/document","source":{"id":"https://openalex.org/S4406922466","display_name":"SPIRE - Sciences Po Institutional REpository","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Chemical Information and Modeling, 2024, 64 (13), pp.5344 - 5355. &#x27E8;10.1021/acs.jcim.4c00601&#x27E9;","raw_type":"Journal articles"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320335860","display_name":"Institut National de Physique Nucl\u00e9aire et de Physique des Particules","ror":"https://ror.org/03fd77x13"}],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4400007971.pdf"},"referenced_works_count":49,"referenced_works":["https://openalex.org/W1509196567","https://openalex.org/W1969001875","https://openalex.org/W1969559577","https://openalex.org/W1971213794","https://openalex.org/W1980969309","https://openalex.org/W1991286793","https://openalex.org/W1996031077","https://openalex.org/W1997655258","https://openalex.org/W2000183695","https://openalex.org/W2011230643","https://openalex.org/W2016718423","https://openalex.org/W2026480331","https://openalex.org/W2041686943","https://openalex.org/W2047819524","https://openalex.org/W2050458179","https://openalex.org/W2073900163","https://openalex.org/W2100598991","https://openalex.org/W2146940292","https://openalex.org/W2160592148","https://openalex.org/W2169678694","https://openalex.org/W2322633051","https://openalex.org/W2763936395","https://openalex.org/W2897021182","https://openalex.org/W2910972593","https://openalex.org/W2969630175","https://openalex.org/W3001241789","https://openalex.org/W3011847211","https://openalex.org/W3016571079","https://openalex.org/W3033134881","https://openalex.org/W3068292362","https://openalex.org/W3096163943","https://openalex.org/W3106065498","https://openalex.org/W3171048111","https://openalex.org/W3184830572","https://openalex.org/W3186552943","https://openalex.org/W3196942650","https://openalex.org/W3198323097","https://openalex.org/W3201539868","https://openalex.org/W4213370488","https://openalex.org/W4283835519","https://openalex.org/W4297497355","https://openalex.org/W4306728530","https://openalex.org/W4306742781","https://openalex.org/W4378640051","https://openalex.org/W4379645335","https://openalex.org/W4384925227","https://openalex.org/W4390611119","https://openalex.org/W4393128461","https://openalex.org/W4400412942"],"related_works":["https://openalex.org/W2327130486","https://openalex.org/W4292296636","https://openalex.org/W1963790256","https://openalex.org/W2090768198","https://openalex.org/W2089108696","https://openalex.org/W2074014730","https://openalex.org/W4206415530","https://openalex.org/W2383633458","https://openalex.org/W3194411068","https://openalex.org/W2105075449"],"abstract_inverted_index":{"We":[0],"herewith":[1],"applied":[2,53,102],"<i>a":[3],"priori</i>":[4],"a":[5,29,37,46,76,93],"generic":[6],"hit":[7],"identification":[8],"method":[9],"(POEM)":[10],"for":[11,33],"difficult":[12],"targets":[13],"of":[14,23,28,39,43,110,130],"known":[15,44,56],"three-dimensional":[16],"structure,":[17,45],"relying":[18],"on":[19],"the":[20,59,71,104],"simple":[21],"knowledge":[22],"physicochemical":[24],"and":[25],"topological":[26],"properties":[27],"user-selected":[30],"cavity.":[31,61],"Searching":[32],"local":[34],"similarity":[35],"to":[36,54,58,68,83,103,123,135,139],"set":[38],"fragment-bound":[40],"protein":[41],"microenvironments":[42],"point":[47],"cloud":[48],"registration":[49],"algorithm":[50],"is":[51],"first":[52],"align":[55],"subpockets":[57],"target":[60,77],"The":[62],"resulting":[63],"alignment":[64],"then":[65],"permits":[66],"us":[67],"directly":[69],"pose":[70],"corresponding":[72],"seed":[73],"fragments":[74],"in":[75],"cavity":[78,109],"space":[79],"not":[80],"typically":[81],"amenable":[82],"classical":[84],"docking":[85],"approaches.":[86],"Last,":[87],"linking":[88],"potentially":[89],"connectable":[90],"atoms":[91],"by":[92],"deep":[94],"generative":[95],"linker":[96],"enables":[97],"full":[98],"ligand":[99],"enumeration.":[100],"When":[101],"WD40":[105],"repeat":[106,112],"(WDR)":[107],"central":[108],"leucine-rich":[111],"kinase":[113],"2":[114],"(LRRK2),":[115],"an":[116],"unprecedented":[117],"binding":[118],"site,":[119],"POEM":[120],"was":[121],"able":[122],"quickly":[124],"propose":[125],"94":[126],"potential":[127],"hits,":[128],"five":[129],"which":[131],"were":[132],"subsequently":[133],"confirmed":[134],"bind":[136],"<i>in":[137],"vitro</i>":[138],"LRRK2-WDR.":[140]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":4}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}
