{"id":"https://openalex.org/W1983376893","doi":"https://doi.org/10.1093/nar/gkv306","title":"MTiOpenScreen: a web server for structure-based virtual screening","display_name":"MTiOpenScreen: a web server for structure-based virtual screening","publication_year":2015,"publication_date":"2015-04-08","ids":{"openalex":"https://openalex.org/W1983376893","doi":"https://doi.org/10.1093/nar/gkv306","mag":"1983376893","pmid":"https://pubmed.ncbi.nlm.nih.gov/25855812"},"language":"en","primary_location":{"id":"doi:10.1093/nar/gkv306","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkv306","pdf_url":"https://academic.oup.com/nar/article-pdf/43/W1/W448/18782920/gkv306.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://academic.oup.com/nar/article-pdf/43/W1/W448/18782920/gkv306.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5063303881","display_name":"C\u00e9line M. Labb\u00e9","orcid":null},"institutions":[{"id":"https://openalex.org/I169173203","display_name":"D\u00e9l\u00e9gation Paris 7","ror":"https://ror.org/00bw5n526","country_code":"FR","type":"government","lineage":["https://openalex.org/I154526488","https://openalex.org/I169173203"]},{"id":"https://openalex.org/I154526488","display_name":"Inserm","ror":"https://ror.org/02vjkv261","country_code":"FR","type":"funder","lineage":["https://openalex.org/I154526488"]},{"id":"https://openalex.org/I204730241","display_name":"Universit\u00e9 Paris Cit\u00e9","ror":"https://ror.org/05f82e368","country_code":"FR","type":"education","lineage":["https://openalex.org/I204730241"]},{"id":"https://openalex.org/I4210091437","display_name":"Sorbonne Paris Cit\u00e9","ror":"https://ror.org/001z21q04","country_code":"FR","type":"other","lineage":["https://openalex.org/I4210091437"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"C\u00e9line M. Labb\u00e9","raw_affiliation_strings":["Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France","INSERM, U973, Paris, France","Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France"],"affiliations":[{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France","institution_ids":["https://openalex.org/I154526488","https://openalex.org/I204730241","https://openalex.org/I169173203"]},{"raw_affiliation_string":"INSERM, U973, Paris, France","institution_ids":["https://openalex.org/I154526488"]},{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France","institution_ids":["https://openalex.org/I169173203","https://openalex.org/I154526488","https://openalex.org/I4210091437","https://openalex.org/I204730241"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074577875","display_name":"Julien Rey","orcid":"https://orcid.org/0000-0002-3050-511X"},"institutions":[{"id":"https://openalex.org/I154526488","display_name":"Inserm","ror":"https://ror.org/02vjkv261","country_code":"FR","type":"funder","lineage":["https://openalex.org/I154526488"]},{"id":"https://openalex.org/I4210091437","display_name":"Sorbonne Paris Cit\u00e9","ror":"https://ror.org/001z21q04","country_code":"FR","type":"other","lineage":["https://openalex.org/I4210091437"]},{"id":"https://openalex.org/I169173203","display_name":"D\u00e9l\u00e9gation Paris 7","ror":"https://ror.org/00bw5n526","country_code":"FR","type":"government","lineage":["https://openalex.org/I154526488","https://openalex.org/I169173203"]},{"id":"https://openalex.org/I204730241","display_name":"Universit\u00e9 Paris Cit\u00e9","ror":"https://ror.org/05f82e368","country_code":"FR","type":"education","lineage":["https://openalex.org/I204730241"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Julien Rey","raw_affiliation_strings":["Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France RPBS, 75205 Paris, France","RPBS, 75205 Paris, France","Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France","INSERM, U973, Paris, France"],"affiliations":[{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France RPBS, 75205 Paris, France","institution_ids":[]},{"raw_affiliation_string":"RPBS, 75205 Paris, France","institution_ids":[]},{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France","institution_ids":["https://openalex.org/I169173203","https://openalex.org/I154526488","https://openalex.org/I4210091437","https://openalex.org/I204730241"]},{"raw_affiliation_string":"INSERM, U973, Paris, France","institution_ids":["https://openalex.org/I154526488"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004457073","display_name":"David Lagorce","orcid":"https://orcid.org/0000-0002-7356-7986"},"institutions":[{"id":"https://openalex.org/I204730241","display_name":"Universit\u00e9 Paris Cit\u00e9","ror":"https://ror.org/05f82e368","country_code":"FR","type":"education","lineage":["https://openalex.org/I204730241"]},{"id":"https://openalex.org/I169173203","display_name":"D\u00e9l\u00e9gation Paris 7","ror":"https://ror.org/00bw5n526","country_code":"FR","type":"government","lineage":["https://openalex.org/I154526488","https://openalex.org/I169173203"]},{"id":"https://openalex.org/I4210091437","display_name":"Sorbonne Paris Cit\u00e9","ror":"https://ror.org/001z21q04","country_code":"FR","type":"other","lineage":["https://openalex.org/I4210091437"]},{"id":"https://openalex.org/I154526488","display_name":"Inserm","ror":"https://ror.org/02vjkv261","country_code":"FR","type":"funder","lineage":["https://openalex.org/I154526488"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"David Lagorce","raw_affiliation_strings":["Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France","Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France","INSERM, U973, Paris, France"],"affiliations":[{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France","institution_ids":["https://openalex.org/I154526488","https://openalex.org/I204730241","https://openalex.org/I169173203"]},{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France","institution_ids":["https://openalex.org/I169173203","https://openalex.org/I154526488","https://openalex.org/I4210091437","https://openalex.org/I204730241"]},{"raw_affiliation_string":"INSERM, U973, Paris, France","institution_ids":["https://openalex.org/I154526488"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034532685","display_name":"Marek Vavru\u0161a","orcid":null},"institutions":[{"id":"https://openalex.org/I169173203","display_name":"D\u00e9l\u00e9gation Paris 7","ror":"https://ror.org/00bw5n526","country_code":"FR","type":"government","lineage":["https://openalex.org/I154526488","https://openalex.org/I169173203"]},{"id":"https://openalex.org/I204730241","display_name":"Universit\u00e9 Paris Cit\u00e9","ror":"https://ror.org/05f82e368","country_code":"FR","type":"education","lineage":["https://openalex.org/I204730241"]},{"id":"https://openalex.org/I4210091437","display_name":"Sorbonne Paris Cit\u00e9","ror":"https://ror.org/001z21q04","country_code":"FR","type":"other","lineage":["https://openalex.org/I4210091437"]},{"id":"https://openalex.org/I154526488","display_name":"Inserm","ror":"https://ror.org/02vjkv261","country_code":"FR","type":"funder","lineage":["https://openalex.org/I154526488"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Marek Vavru\u0161a","raw_affiliation_strings":["Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France RPBS, 75205 Paris, France","INSERM, U973, Paris, France","RPBS, 75205 Paris, France","Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France"],"affiliations":[{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France RPBS, 75205 Paris, France","institution_ids":[]},{"raw_affiliation_string":"INSERM, U973, Paris, France","institution_ids":["https://openalex.org/I154526488"]},{"raw_affiliation_string":"RPBS, 75205 Paris, France","institution_ids":[]},{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France","institution_ids":["https://openalex.org/I169173203","https://openalex.org/I154526488","https://openalex.org/I4210091437","https://openalex.org/I204730241"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069811694","display_name":"J\u00e9r\u00f4me Becot","orcid":null},"institutions":[{"id":"https://openalex.org/I169173203","display_name":"D\u00e9l\u00e9gation Paris 7","ror":"https://ror.org/00bw5n526","country_code":"FR","type":"government","lineage":["https://openalex.org/I154526488","https://openalex.org/I169173203"]},{"id":"https://openalex.org/I154526488","display_name":"Inserm","ror":"https://ror.org/02vjkv261","country_code":"FR","type":"funder","lineage":["https://openalex.org/I154526488"]},{"id":"https://openalex.org/I4210091437","display_name":"Sorbonne Paris Cit\u00e9","ror":"https://ror.org/001z21q04","country_code":"FR","type":"other","lineage":["https://openalex.org/I4210091437"]},{"id":"https://openalex.org/I204730241","display_name":"Universit\u00e9 Paris Cit\u00e9","ror":"https://ror.org/05f82e368","country_code":"FR","type":"education","lineage":["https://openalex.org/I204730241"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"J\u00e9rome Becot","raw_affiliation_strings":["Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France","Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France","INSERM, U973, Paris, France"],"affiliations":[{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France","institution_ids":["https://openalex.org/I154526488","https://openalex.org/I204730241","https://openalex.org/I169173203"]},{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France","institution_ids":["https://openalex.org/I169173203","https://openalex.org/I154526488","https://openalex.org/I4210091437","https://openalex.org/I204730241"]},{"raw_affiliation_string":"INSERM, U973, Paris, France","institution_ids":["https://openalex.org/I154526488"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064154680","display_name":"Olivier Sp\u00e9randio","orcid":"https://orcid.org/0000-0001-6610-2729"},"institutions":[{"id":"https://openalex.org/I4210091437","display_name":"Sorbonne Paris Cit\u00e9","ror":"https://ror.org/001z21q04","country_code":"FR","type":"other","lineage":["https://openalex.org/I4210091437"]},{"id":"https://openalex.org/I154526488","display_name":"Inserm","ror":"https://ror.org/02vjkv261","country_code":"FR","type":"funder","lineage":["https://openalex.org/I154526488"]},{"id":"https://openalex.org/I169173203","display_name":"D\u00e9l\u00e9gation Paris 7","ror":"https://ror.org/00bw5n526","country_code":"FR","type":"government","lineage":["https://openalex.org/I154526488","https://openalex.org/I169173203"]},{"id":"https://openalex.org/I204730241","display_name":"Universit\u00e9 Paris Cit\u00e9","ror":"https://ror.org/05f82e368","country_code":"FR","type":"education","lineage":["https://openalex.org/I204730241"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Olivier Sperandio","raw_affiliation_strings":["Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France","INSERM, U973, Paris, France","Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France"],"affiliations":[{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France","institution_ids":["https://openalex.org/I154526488","https://openalex.org/I204730241","https://openalex.org/I169173203"]},{"raw_affiliation_string":"INSERM, U973, Paris, France","institution_ids":["https://openalex.org/I154526488"]},{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France","institution_ids":["https://openalex.org/I169173203","https://openalex.org/I154526488","https://openalex.org/I4210091437","https://openalex.org/I204730241"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051589659","display_name":"Bruno O. Villoutreix","orcid":"https://orcid.org/0000-0002-6456-7730"},"institutions":[{"id":"https://openalex.org/I169173203","display_name":"D\u00e9l\u00e9gation Paris 7","ror":"https://ror.org/00bw5n526","country_code":"FR","type":"government","lineage":["https://openalex.org/I154526488","https://openalex.org/I169173203"]},{"id":"https://openalex.org/I154526488","display_name":"Inserm","ror":"https://ror.org/02vjkv261","country_code":"FR","type":"funder","lineage":["https://openalex.org/I154526488"]},{"id":"https://openalex.org/I204730241","display_name":"Universit\u00e9 Paris Cit\u00e9","ror":"https://ror.org/05f82e368","country_code":"FR","type":"education","lineage":["https://openalex.org/I204730241"]},{"id":"https://openalex.org/I4210091437","display_name":"Sorbonne Paris Cit\u00e9","ror":"https://ror.org/001z21q04","country_code":"FR","type":"other","lineage":["https://openalex.org/I4210091437"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Bruno O. Villoutreix","raw_affiliation_strings":["Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France","Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France","INSERM, U973, Paris, France"],"affiliations":[{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France","institution_ids":["https://openalex.org/I154526488","https://openalex.org/I204730241","https://openalex.org/I169173203"]},{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France","institution_ids":["https://openalex.org/I169173203","https://openalex.org/I154526488","https://openalex.org/I4210091437","https://openalex.org/I204730241"]},{"raw_affiliation_string":"INSERM, U973, Paris, France","institution_ids":["https://openalex.org/I154526488"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002795410","display_name":"Pierre Tuff\u00e9ry","orcid":"https://orcid.org/0000-0003-1033-9895"},"institutions":[{"id":"https://openalex.org/I4210091437","display_name":"Sorbonne Paris Cit\u00e9","ror":"https://ror.org/001z21q04","country_code":"FR","type":"other","lineage":["https://openalex.org/I4210091437"]},{"id":"https://openalex.org/I154526488","display_name":"Inserm","ror":"https://ror.org/02vjkv261","country_code":"FR","type":"funder","lineage":["https://openalex.org/I154526488"]},{"id":"https://openalex.org/I204730241","display_name":"Universit\u00e9 Paris Cit\u00e9","ror":"https://ror.org/05f82e368","country_code":"FR","type":"education","lineage":["https://openalex.org/I204730241"]},{"id":"https://openalex.org/I169173203","display_name":"D\u00e9l\u00e9gation Paris 7","ror":"https://ror.org/00bw5n526","country_code":"FR","type":"government","lineage":["https://openalex.org/I154526488","https://openalex.org/I169173203"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Pierre Tuff\u00e9ry","raw_affiliation_strings":["Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France RPBS, 75205 Paris, France","INSERM, U973, Paris, France","Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France","RPBS, 75205 Paris, France"],"affiliations":[{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France RPBS, 75205 Paris, France","institution_ids":[]},{"raw_affiliation_string":"INSERM, U973, Paris, France","institution_ids":["https://openalex.org/I154526488"]},{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France","institution_ids":["https://openalex.org/I169173203","https://openalex.org/I154526488","https://openalex.org/I4210091437","https://openalex.org/I204730241"]},{"raw_affiliation_string":"RPBS, 75205 Paris, France","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5020291775","display_name":"Maria A. Miteva","orcid":"https://orcid.org/0000-0001-6895-1214"},"institutions":[{"id":"https://openalex.org/I154526488","display_name":"Inserm","ror":"https://ror.org/02vjkv261","country_code":"FR","type":"funder","lineage":["https://openalex.org/I154526488"]},{"id":"https://openalex.org/I4210091437","display_name":"Sorbonne Paris Cit\u00e9","ror":"https://ror.org/001z21q04","country_code":"FR","type":"other","lineage":["https://openalex.org/I4210091437"]},{"id":"https://openalex.org/I169173203","display_name":"D\u00e9l\u00e9gation Paris 7","ror":"https://ror.org/00bw5n526","country_code":"FR","type":"government","lineage":["https://openalex.org/I154526488","https://openalex.org/I169173203"]},{"id":"https://openalex.org/I204730241","display_name":"Universit\u00e9 Paris Cit\u00e9","ror":"https://ror.org/05f82e368","country_code":"FR","type":"education","lineage":["https://openalex.org/I204730241"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Maria A. Miteva","raw_affiliation_strings":["Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France maria.miteva@univ-paris-diderot.fr","INSERM, U973, Paris, France","Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France"],"affiliations":[{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France maria.miteva@univ-paris-diderot.fr","institution_ids":[]},{"raw_affiliation_string":"INSERM, U973, Paris, France","institution_ids":["https://openalex.org/I154526488"]},{"raw_affiliation_string":"Universit\u00e9 Paris Diderot, Sorbonne Paris Cit\u00e9, Mol\u00e9cules Th\u00e9rapeutiques In Silico, INSERM UMR-S 973, Paris, France","institution_ids":["https://openalex.org/I169173203","https://openalex.org/I154526488","https://openalex.org/I4210091437","https://openalex.org/I204730241"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5020291775","https://openalex.org/A5063303881","https://openalex.org/A5074577875"],"corresponding_institution_ids":["https://openalex.org/I154526488","https://openalex.org/I169173203","https://openalex.org/I204730241","https://openalex.org/I4210091437"],"apc_list":{"value":3630,"currency":"USD","value_usd":3630},"apc_paid":{"value":3630,"currency":"USD","value_usd":3630},"fwci":11.6424,"has_fulltext":false,"cited_by_count":278,"citation_normalized_percentile":{"value":0.98851339,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":100},"biblio":{"volume":"43","issue":"W1","first_page":"W448","last_page":"W454"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"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"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"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"}},{"id":"https://openalex.org/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.9937000274658203,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T11440","display_name":"Click Chemistry and Applications","score":0.9843000173568726,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.9127721786499023},{"id":"https://openalex.org/keywords/pubchem","display_name":"PubChem","score":0.904177188873291},{"id":"https://openalex.org/keywords/autodock","display_name":"AutoDock","score":0.8069041967391968},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.595436692237854},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.5795440077781677},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5623330473899841},{"id":"https://openalex.org/keywords/web-server","display_name":"Web server","score":0.5482531189918518},{"id":"https://openalex.org/keywords/chemical-database","display_name":"Chemical database","score":0.5073155760765076},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.47500336170196533},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.47197064757347107},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.443400114774704},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.42707210779190063},{"id":"https://openalex.org/keywords/the-internet","display_name":"The Internet","score":0.3362797498703003},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.2649446725845337},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.20657092332839966},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.10573247075080872}],"concepts":[{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.9127721786499023},{"id":"https://openalex.org/C158180186","wikidata":"https://www.wikidata.org/wiki/Q278487","display_name":"PubChem","level":2,"score":0.904177188873291},{"id":"https://openalex.org/C2780152424","wikidata":"https://www.wikidata.org/wiki/Q4826062","display_name":"AutoDock","level":4,"score":0.8069041967391968},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.595436692237854},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5795440077781677},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5623330473899841},{"id":"https://openalex.org/C11392498","wikidata":"https://www.wikidata.org/wiki/Q11288","display_name":"Web server","level":3,"score":0.5482531189918518},{"id":"https://openalex.org/C203394866","wikidata":"https://www.wikidata.org/wiki/Q2881060","display_name":"Chemical database","level":2,"score":0.5073155760765076},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.47500336170196533},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.47197064757347107},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.443400114774704},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.42707210779190063},{"id":"https://openalex.org/C110875604","wikidata":"https://www.wikidata.org/wiki/Q75","display_name":"The Internet","level":2,"score":0.3362797498703003},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.2649446725845337},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.20657092332839966},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.10573247075080872},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"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/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0}],"mesh":[{"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":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1093/nar/gkv306","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkv306","pdf_url":"https://academic.oup.com/nar/article-pdf/43/W1/W448/18782920/gkv306.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},{"id":"pmid:25855812","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/25855812","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":"Nucleic acids research","raw_type":null},{"id":"pmh:oai:europepmc.org:3458194","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4489289","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"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":"Text"}],"best_oa_location":{"id":"doi:10.1093/nar/gkv306","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkv306","pdf_url":"https://academic.oup.com/nar/article-pdf/43/W1/W448/18782920/gkv306.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/9","display_name":"Industry, innovation and infrastructure","score":0.6600000262260437}],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1983376893.pdf","grobid_xml":"https://content.openalex.org/works/W1983376893.grobid-xml"},"referenced_works_count":36,"referenced_works":["https://openalex.org/W1974896809","https://openalex.org/W1980240737","https://openalex.org/W1980621088","https://openalex.org/W1992611413","https://openalex.org/W1998612140","https://openalex.org/W2007249694","https://openalex.org/W2021552823","https://openalex.org/W2030423316","https://openalex.org/W2031572788","https://openalex.org/W2038359277","https://openalex.org/W2043509228","https://openalex.org/W2053548662","https://openalex.org/W2057810258","https://openalex.org/W2061745280","https://openalex.org/W2062884696","https://openalex.org/W2077004593","https://openalex.org/W2078142106","https://openalex.org/W2081320767","https://openalex.org/W2087808860","https://openalex.org/W2100125011","https://openalex.org/W2101078720","https://openalex.org/W2105668062","https://openalex.org/W2124074156","https://openalex.org/W2124603349","https://openalex.org/W2133447437","https://openalex.org/W2134967712","https://openalex.org/W2139064989","https://openalex.org/W2140083972","https://openalex.org/W2143117875","https://openalex.org/W2157040708","https://openalex.org/W2160163986","https://openalex.org/W2161427213","https://openalex.org/W2167398093","https://openalex.org/W2170208703","https://openalex.org/W2295843667","https://openalex.org/W2474244989"],"related_works":["https://openalex.org/W2089188080","https://openalex.org/W2132834943","https://openalex.org/W2975943169","https://openalex.org/W4387392377","https://openalex.org/W3015572666","https://openalex.org/W4388572001","https://openalex.org/W2336040088","https://openalex.org/W2109587698","https://openalex.org/W4211227887","https://openalex.org/W1983376893"],"abstract_inverted_index":{"Open":[0],"screening":[1,77,159],"endeavors":[2],"play":[3,6],"and":[4,23,31,50,58,74,104,138,181],"will":[5],"a":[7,64],"key":[8],"role":[9],"to":[10,20,24,46,111,122,125,142,156,183],"facilitate":[11],"the":[12,26,40,99,105,120],"identification":[13],"of":[14,28,140],"new":[15,41],"bioactive":[16],"compounds":[17],"in":[18,108],"order":[19],"foster":[21],"innovation":[22],"improve":[25],"effectiveness":[27],"chemical":[29,92,162],"biology":[30],"drug":[32],"discovery":[33],"processes.":[34],"In":[35,115,150],"this":[36,151],"line,":[37],"we":[38],"developed":[39],"web":[42,177],"server":[43,178],"MTiOpenScreen":[44,81,117,153,176],"dedicated":[45],"small":[47,127],"molecule":[48],"docking":[49,62,70],"virtual":[51,76,158],"screening.":[52],"It":[53],"includes":[54],"two":[55,88,132],"services,":[56],"MTiAutoDock":[57],"MTiOpenScreen,":[59],"allowing":[60],"performing":[61],"into":[63],"user-defined":[65],"binding":[66,136],"site":[67],"or":[68,166],"blind":[69],"using":[71,160],"AutoDock":[72,79],"4.2":[73],"automated":[75],"with":[78],"Vina.":[80],"provides":[82],"valuable":[83],"starting":[84],"collections":[85],"for":[86],"screening,":[87],"in-house":[89],"prepared":[90],"drug-like":[91],"libraries":[93,163],"containing":[94,101],"150":[95],"000":[96],"PubChem":[97],"compounds:":[98],"Diverse-lib":[100],"diverse":[102],"molecules":[103,109,128],"iPPI-lib":[106],"enriched":[107],"likely":[110],"inhibit":[112],"protein-protein":[113,173],"interactions.":[114,174],"addition,":[116],"offers":[118],"users":[119,185],"possibility":[121],"screen":[123],"up":[124,141],"5000":[126],"selected":[129],"outside":[130],"our":[131],"libraries.":[133],"The":[134,175],"predicted":[135],"poses":[137],"energies":[139],"1000":[143],"top":[144],"ranked":[145],"ligands":[146],"can":[147],"be":[148],"downloaded.":[149],"way,":[152],"enables":[154],"researchers":[155],"apply":[157],"different":[161],"on":[164],"traditional":[165],"more":[167],"challenging":[168],"protein":[169],"targets":[170],"such":[171],"as":[172],"is":[179],"free":[180],"open":[182],"all":[184],"at":[186],"http://bioserv.rpbs.univ-paris-diderot.fr/services/MTiOpenScreen/.":[187]},"counts_by_year":[{"year":2026,"cited_by_count":10},{"year":2025,"cited_by_count":52},{"year":2024,"cited_by_count":43},{"year":2023,"cited_by_count":25},{"year":2022,"cited_by_count":22},{"year":2021,"cited_by_count":26},{"year":2020,"cited_by_count":51},{"year":2019,"cited_by_count":16},{"year":2018,"cited_by_count":11},{"year":2017,"cited_by_count":9},{"year":2016,"cited_by_count":11},{"year":2015,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2026-03-10T16:38:18.471706","created_date":"2025-10-10T00:00:00"}