{"id":"https://openalex.org/W3093976970","doi":"https://doi.org/10.1093/bioinformatics/btaa897","title":"UNRES-Dock\u2014protein\u2013protein and peptide\u2013protein docking by coarse-grained replica-exchange MD simulations","display_name":"UNRES-Dock\u2014protein\u2013protein and peptide\u2013protein docking by coarse-grained replica-exchange MD simulations","publication_year":2020,"publication_date":"2020-10-06","ids":{"openalex":"https://openalex.org/W3093976970","doi":"https://doi.org/10.1093/bioinformatics/btaa897","mag":"3093976970","pmid":"https://pubmed.ncbi.nlm.nih.gov/33079977"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btaa897","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btaa897","pdf_url":null,"source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5021680600","display_name":"Pawe\u0142 Krupa","orcid":"https://orcid.org/0000-0002-9710-7837"},"institutions":[{"id":"https://openalex.org/I40413290","display_name":"University of Gda\u0144sk","ror":"https://ror.org/011dv8m48","country_code":"PL","type":"education","lineage":["https://openalex.org/I40413290"]},{"id":"https://openalex.org/I99542240","display_name":"Polish Academy of Sciences","ror":"https://ror.org/01dr6c206","country_code":"PL","type":"funder","lineage":["https://openalex.org/I99542240"]},{"id":"https://openalex.org/I4210086947","display_name":"Institute of Physics","ror":"https://ror.org/000sfad56","country_code":"PL","type":"facility","lineage":["https://openalex.org/I4210086947","https://openalex.org/I99542240"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Pawe\u0142 Krupa","raw_affiliation_strings":["Faculty of Chemistry, University of Gda\u0144sk , Gda\u0144sk 80-308, Poland","Institute of Physics, Polish Academy of Sciences , Warsaw 02-668, Poland","Institute of Physics, Polish Academy of Sciences, Warsaw 02-668, Poland"],"affiliations":[{"raw_affiliation_string":"Faculty of Chemistry, University of Gda\u0144sk , Gda\u0144sk 80-308, Poland","institution_ids":["https://openalex.org/I40413290"]},{"raw_affiliation_string":"Institute of Physics, Polish Academy of Sciences , Warsaw 02-668, Poland","institution_ids":["https://openalex.org/I99542240","https://openalex.org/I4210086947"]},{"raw_affiliation_string":"Institute of Physics, Polish Academy of Sciences, Warsaw 02-668, Poland","institution_ids":["https://openalex.org/I99542240","https://openalex.org/I4210086947"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016490968","display_name":"Agnieszka Karczy\u0144ska","orcid":"https://orcid.org/0000-0003-2327-9537"},"institutions":[{"id":"https://openalex.org/I40413290","display_name":"University of Gda\u0144sk","ror":"https://ror.org/011dv8m48","country_code":"PL","type":"education","lineage":["https://openalex.org/I40413290"]},{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"funder","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I4210101348","display_name":"Centre Inria de l'Universit\u00e9 Grenoble Alpes","ror":"https://ror.org/00n8d6z93","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1326498283","https://openalex.org/I4210101348"]},{"id":"https://openalex.org/I106785703","display_name":"Institut polytechnique de Grenoble","ror":"https://ror.org/05sbt2524","country_code":"FR","type":"education","lineage":["https://openalex.org/I106785703","https://openalex.org/I899635006"]},{"id":"https://openalex.org/I4210149092","display_name":"Laboratoire Jean Kuntzmann","ror":"https://ror.org/04ett5b41","country_code":"FR","type":"facility","lineage":["https://openalex.org/I106785703","https://openalex.org/I1294671590","https://openalex.org/I1326498283","https://openalex.org/I4210149092","https://openalex.org/I899635006","https://openalex.org/I899635006"]},{"id":"https://openalex.org/I899635006","display_name":"Universit\u00e9 Grenoble Alpes","ror":"https://ror.org/02rx3b187","country_code":"FR","type":"education","lineage":["https://openalex.org/I899635006"]}],"countries":["FR","PL"],"is_corresponding":false,"raw_author_name":"Agnieszka S Karczy\u0144ska","raw_affiliation_strings":["Faculty of Chemistry, University of Gda\u0144sk , Gda\u0144sk 80-308, Poland","University of Grenoble Alpes , Inria, CNRS, Grenoble INP, LJK, Grenoble 38000, France","University of Grenoble Alpes, Inria, CNRS, Grenoble INP, LJK, Grenoble 38000, France"],"affiliations":[{"raw_affiliation_string":"Faculty of Chemistry, University of Gda\u0144sk , Gda\u0144sk 80-308, Poland","institution_ids":["https://openalex.org/I40413290"]},{"raw_affiliation_string":"University of Grenoble Alpes , Inria, CNRS, Grenoble INP, LJK, Grenoble 38000, France","institution_ids":["https://openalex.org/I106785703","https://openalex.org/I899635006","https://openalex.org/I4210149092","https://openalex.org/I4210101348","https://openalex.org/I1294671590"]},{"raw_affiliation_string":"University of Grenoble Alpes, Inria, CNRS, Grenoble INP, LJK, Grenoble 38000, France","institution_ids":["https://openalex.org/I106785703","https://openalex.org/I4210149092","https://openalex.org/I4210101348","https://openalex.org/I899635006","https://openalex.org/I1294671590"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112476015","display_name":"Magdalena A. Mozolewska","orcid":null},"institutions":[{"id":"https://openalex.org/I4210087266","display_name":"Institute of Computer Science","ror":"https://ror.org/003fvp964","country_code":"PL","type":"facility","lineage":["https://openalex.org/I4210087266","https://openalex.org/I99542240"]},{"id":"https://openalex.org/I99542240","display_name":"Polish Academy of Sciences","ror":"https://ror.org/01dr6c206","country_code":"PL","type":"funder","lineage":["https://openalex.org/I99542240"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Magdalena A Mozolewska","raw_affiliation_strings":["Institute of Computer Science, Polish Academy of Sciences , Warsaw 01-248, Poland"],"affiliations":[{"raw_affiliation_string":"Institute of Computer Science, Polish Academy of Sciences , Warsaw 01-248, Poland","institution_ids":["https://openalex.org/I99542240","https://openalex.org/I4210087266"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052827727","display_name":"Adam Liwo","orcid":"https://orcid.org/0000-0001-6942-2226"},"institutions":[{"id":"https://openalex.org/I40413290","display_name":"University of Gda\u0144sk","ror":"https://ror.org/011dv8m48","country_code":"PL","type":"education","lineage":["https://openalex.org/I40413290"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Adam Liwo","raw_affiliation_strings":["Faculty of Chemistry, University of Gda\u0144sk , Gda\u0144sk 80-308, Poland"],"affiliations":[{"raw_affiliation_string":"Faculty of Chemistry, University of Gda\u0144sk , Gda\u0144sk 80-308, Poland","institution_ids":["https://openalex.org/I40413290"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5009768876","display_name":"Cezary Czaplewski","orcid":"https://orcid.org/0000-0002-0294-3403"},"institutions":[{"id":"https://openalex.org/I40413290","display_name":"University of Gda\u0144sk","ror":"https://ror.org/011dv8m48","country_code":"PL","type":"education","lineage":["https://openalex.org/I40413290"]}],"countries":["PL"],"is_corresponding":true,"raw_author_name":"Cezary Czaplewski","raw_affiliation_strings":["Faculty of Chemistry, University of Gda\u0144sk , Gda\u0144sk 80-308, Poland"],"affiliations":[{"raw_affiliation_string":"Faculty of Chemistry, University of Gda\u0144sk , Gda\u0144sk 80-308, Poland","institution_ids":["https://openalex.org/I40413290"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5009768876"],"corresponding_institution_ids":["https://openalex.org/I40413290"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":null,"fwci":1.1599,"has_fulltext":false,"cited_by_count":30,"citation_normalized_percentile":{"value":0.77911439,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"37","issue":"11","first_page":"1613","last_page":"1615"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9987000226974487,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9987000226974487,"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/T11162","display_name":"Enzyme Structure and Function","score":0.996399998664856,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9947999715805054,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/replica","display_name":"Replica","score":0.7143951654434204},{"id":"https://openalex.org/keywords/dock","display_name":"DOCK","score":0.7075523138046265},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5535498261451721},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.5329476594924927},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.49790406227111816},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3559476137161255},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.34294000267982483},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.25891387462615967},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.24625834822654724},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.10879132151603699},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.0860666036605835}],"concepts":[{"id":"https://openalex.org/C2775937380","wikidata":"https://www.wikidata.org/wiki/Q1232589","display_name":"Replica","level":2,"score":0.7143951654434204},{"id":"https://openalex.org/C93073132","wikidata":"https://www.wikidata.org/wiki/Q24726581","display_name":"DOCK","level":2,"score":0.7075523138046265},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5535498261451721},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5329476594924927},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.49790406227111816},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3559476137161255},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.34294000267982483},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.25891387462615967},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.24625834822654724},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.10879132151603699},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0860666036605835},{"id":"https://openalex.org/C153349607","wikidata":"https://www.wikidata.org/wiki/Q36649","display_name":"Visual arts","level":1,"score":0.0},{"id":"https://openalex.org/C142362112","wikidata":"https://www.wikidata.org/wiki/Q735","display_name":"Art","level":0,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","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":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","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":false}],"locations_count":2,"locations":[{"id":"doi:10.1093/bioinformatics/btaa897","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btaa897","pdf_url":null,"source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:33079977","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/33079977","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":"Bioinformatics (Oxford, England)","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":14,"referenced_works":["https://openalex.org/W1938743025","https://openalex.org/W2019495349","https://openalex.org/W2073911195","https://openalex.org/W2098714300","https://openalex.org/W2106648157","https://openalex.org/W2111270835","https://openalex.org/W2112154906","https://openalex.org/W2117179803","https://openalex.org/W2148356001","https://openalex.org/W2165531467","https://openalex.org/W2745974477","https://openalex.org/W2802007263","https://openalex.org/W2803873050","https://openalex.org/W2980678340"],"related_works":["https://openalex.org/W4282913408","https://openalex.org/W2100436540","https://openalex.org/W2300502530","https://openalex.org/W3201417569","https://openalex.org/W2070163817","https://openalex.org/W2395175315","https://openalex.org/W1938743025","https://openalex.org/W2102475066","https://openalex.org/W3193731429","https://openalex.org/W2050992060"],"abstract_inverted_index":{"Supplementary":[0],"data":[1],"are":[2],"available":[3],"at":[4],"Bioinformatics":[5],"online.":[6]},"counts_by_year":[{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":9},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":9},{"year":2020,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}