{"id":"https://openalex.org/W2341770474","doi":"https://doi.org/10.1021/acs.jcim.5b00667","title":"Computational Prediction of HIV-1 Resistance to Protease Inhibitors","display_name":"Computational Prediction of HIV-1 Resistance to Protease Inhibitors","publication_year":2016,"publication_date":"2016-04-15","ids":{"openalex":"https://openalex.org/W2341770474","doi":"https://doi.org/10.1021/acs.jcim.5b00667","mag":"2341770474","pmid":"https://pubmed.ncbi.nlm.nih.gov/27082876"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5b00667","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00667","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":"http://hdl.handle.net/2117/86558","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5103494036","display_name":"Ali Hosseini","orcid":null},"institutions":[{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]},{"id":"https://openalex.org/I2799803557","display_name":"Barcelona Supercomputing Center","ror":"https://ror.org/05sd8tv96","country_code":"ES","type":"facility","lineage":["https://openalex.org/I2799803557","https://openalex.org/I9617848"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"Ali Hosseini","raw_affiliation_strings":["Joint\rBSC-CRG-IRB Research Program in Computational Biology, Barcelona Supercomputing Center, c/Jordi Girona 29, 08034 Barcelona, Spain","Joint BSC-CRG-IRB Research Program in Computational Biology. Barcelona Supercomputing Center. c/ Jordi Girona 29, 08034 Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Joint\rBSC-CRG-IRB Research Program in Computational Biology, Barcelona Supercomputing Center, c/Jordi Girona 29, 08034 Barcelona, Spain","institution_ids":["https://openalex.org/I9617848","https://openalex.org/I2799803557"]},{"raw_affiliation_string":"Joint BSC-CRG-IRB Research Program in Computational Biology. Barcelona Supercomputing Center. c/ Jordi Girona 29, 08034 Barcelona, Spain","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076354051","display_name":"Andreu Alib\u00e9s","orcid":"https://orcid.org/0000-0002-0055-3014"},"institutions":[{"id":"https://openalex.org/I2799803557","display_name":"Barcelona Supercomputing Center","ror":"https://ror.org/05sd8tv96","country_code":"ES","type":"facility","lineage":["https://openalex.org/I2799803557","https://openalex.org/I9617848"]},{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]},{"id":"https://openalex.org/I4210122345","display_name":"Institute for Research in Biomedicine","ror":"https://ror.org/01z1gye03","country_code":"ES","type":"healthcare","lineage":["https://openalex.org/I4210122345","https://openalex.org/I4210132884","https://openalex.org/I4387153040"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Andreu Alib\u00e9s","raw_affiliation_strings":["Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Baldiri i Reixac 8, 08028 Barcelona, Spain","Joint\rBSC-CRG-IRB Research Program in Computational Biology, Barcelona Supercomputing Center, c/Jordi Girona 29, 08034 Barcelona, Spain","Joint BSC-CRG-IRB Research Program in Computational Biology. Barcelona Supercomputing Center. c/ Jordi Girona 29, 08034 Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Baldiri i Reixac 8, 08028 Barcelona, Spain","institution_ids":["https://openalex.org/I4210122345"]},{"raw_affiliation_string":"Joint\rBSC-CRG-IRB Research Program in Computational Biology, Barcelona Supercomputing Center, c/Jordi Girona 29, 08034 Barcelona, Spain","institution_ids":["https://openalex.org/I9617848","https://openalex.org/I2799803557"]},{"raw_affiliation_string":"Joint BSC-CRG-IRB Research Program in Computational Biology. Barcelona Supercomputing Center. c/ Jordi Girona 29, 08034 Barcelona, Spain","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010065694","display_name":"Marc Noguera-Juli\u00e1n","orcid":"https://orcid.org/0000-0002-6194-1395"},"institutions":[{"id":"https://openalex.org/I123044942","display_name":"Universitat Aut\u00f2noma de Barcelona","ror":"https://ror.org/052g8jq94","country_code":"ES","type":"education","lineage":["https://openalex.org/I123044942"]},{"id":"https://openalex.org/I4210086361","display_name":"IrsiCaixa","ror":"https://ror.org/001synm23","country_code":"ES","type":"nonprofit","lineage":["https://openalex.org/I4210086361","https://openalex.org/I4387153040"]},{"id":"https://openalex.org/I4210153460","display_name":"Hospital Universitari Germans Trias i Pujol","ror":"https://ror.org/04wxdxa47","country_code":"ES","type":"healthcare","lineage":["https://openalex.org/I157913058","https://openalex.org/I4210153292","https://openalex.org/I4210153460"]},{"id":"https://openalex.org/I115304662","display_name":"Universitat de Vic - Universitat Central de Catalunya","ror":"https://ror.org/006zjws59","country_code":"ES","type":"education","lineage":["https://openalex.org/I115304662"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Marc Noguera-Julian","raw_affiliation_strings":["IrsiCaixa\rAIDS Research Institute, Hospital Universitari Germans Trias i Pujol, 08916 Badalona, Catalonia, Spain","Universitat Aut\u00f2noma de Barcelona, 08193 Bellaterra, Catalonia, Spain","Universitat de Vic \u2212 Universitat Central de Catalunya, 08500 Vic, Catalonia, Spain","Universitat de Vic -Universitat Central de Catalunya, Vic, Catalonia, Spain"],"affiliations":[{"raw_affiliation_string":"IrsiCaixa\rAIDS Research Institute, Hospital Universitari Germans Trias i Pujol, 08916 Badalona, Catalonia, Spain","institution_ids":["https://openalex.org/I4210153460","https://openalex.org/I4210086361"]},{"raw_affiliation_string":"Universitat Aut\u00f2noma de Barcelona, 08193 Bellaterra, Catalonia, Spain","institution_ids":["https://openalex.org/I123044942"]},{"raw_affiliation_string":"Universitat de Vic \u2212 Universitat Central de Catalunya, 08500 Vic, Catalonia, Spain","institution_ids":["https://openalex.org/I115304662"]},{"raw_affiliation_string":"Universitat de Vic -Universitat Central de Catalunya, Vic, Catalonia, Spain","institution_ids":["https://openalex.org/I115304662"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5114031262","display_name":"V. Gil","orcid":null},"institutions":[{"id":"https://openalex.org/I2799803557","display_name":"Barcelona Supercomputing Center","ror":"https://ror.org/05sd8tv96","country_code":"ES","type":"facility","lineage":["https://openalex.org/I2799803557","https://openalex.org/I9617848"]},{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Victor Gil","raw_affiliation_strings":["Joint\rBSC-CRG-IRB Research Program in Computational Biology, Barcelona Supercomputing Center, c/Jordi Girona 29, 08034 Barcelona, Spain","Joint BSC-CRG-IRB Research Program in Computational Biology. Barcelona Supercomputing Center. c/ Jordi Girona 29, 08034 Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Joint\rBSC-CRG-IRB Research Program in Computational Biology, Barcelona Supercomputing Center, c/Jordi Girona 29, 08034 Barcelona, Spain","institution_ids":["https://openalex.org/I9617848","https://openalex.org/I2799803557"]},{"raw_affiliation_string":"Joint BSC-CRG-IRB Research Program in Computational Biology. Barcelona Supercomputing Center. c/ Jordi Girona 29, 08034 Barcelona, Spain","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091097962","display_name":"Roger Paredes","orcid":"https://orcid.org/0000-0002-6553-691X"},"institutions":[{"id":"https://openalex.org/I123044942","display_name":"Universitat Aut\u00f2noma de Barcelona","ror":"https://ror.org/052g8jq94","country_code":"ES","type":"education","lineage":["https://openalex.org/I123044942"]},{"id":"https://openalex.org/I4210153460","display_name":"Hospital Universitari Germans Trias i Pujol","ror":"https://ror.org/04wxdxa47","country_code":"ES","type":"healthcare","lineage":["https://openalex.org/I157913058","https://openalex.org/I4210153292","https://openalex.org/I4210153460"]},{"id":"https://openalex.org/I115304662","display_name":"Universitat de Vic - Universitat Central de Catalunya","ror":"https://ror.org/006zjws59","country_code":"ES","type":"education","lineage":["https://openalex.org/I115304662"]},{"id":"https://openalex.org/I4210086361","display_name":"IrsiCaixa","ror":"https://ror.org/001synm23","country_code":"ES","type":"nonprofit","lineage":["https://openalex.org/I4210086361","https://openalex.org/I4387153040"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Roger Paredes","raw_affiliation_strings":["IrsiCaixa\rAIDS Research Institute, Hospital Universitari Germans Trias i Pujol, 08916 Badalona, Catalonia, Spain","Universitat Aut\u00f2noma de Barcelona, 08193 Bellaterra, Catalonia, Spain","Universitat de Vic \u2212 Universitat Central de Catalunya, 08500 Vic, Catalonia, Spain","Universitat de Vic -Universitat Central de Catalunya, Vic, Catalonia, Spain"],"affiliations":[{"raw_affiliation_string":"IrsiCaixa\rAIDS Research Institute, Hospital Universitari Germans Trias i Pujol, 08916 Badalona, Catalonia, Spain","institution_ids":["https://openalex.org/I4210153460","https://openalex.org/I4210086361"]},{"raw_affiliation_string":"Universitat Aut\u00f2noma de Barcelona, 08193 Bellaterra, Catalonia, Spain","institution_ids":["https://openalex.org/I123044942"]},{"raw_affiliation_string":"Universitat de Vic \u2212 Universitat Central de Catalunya, 08500 Vic, Catalonia, Spain","institution_ids":["https://openalex.org/I115304662"]},{"raw_affiliation_string":"Universitat de Vic -Universitat Central de Catalunya, Vic, Catalonia, Spain","institution_ids":["https://openalex.org/I115304662"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076261876","display_name":"Robert Soliva","orcid":"https://orcid.org/0000-0003-0628-4342"},"institutions":[{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]},{"id":"https://openalex.org/I2799803557","display_name":"Barcelona Supercomputing Center","ror":"https://ror.org/05sd8tv96","country_code":"ES","type":"facility","lineage":["https://openalex.org/I2799803557","https://openalex.org/I9617848"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Robert Soliva","raw_affiliation_strings":["Joint\rBSC-CRG-IRB Research Program in Computational Biology, Barcelona Supercomputing Center, c/Jordi Girona 29, 08034 Barcelona, Spain","Joint BSC-CRG-IRB Research Program in Computational Biology. Barcelona Supercomputing Center. c/ Jordi Girona 29, 08034 Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Joint\rBSC-CRG-IRB Research Program in Computational Biology, Barcelona Supercomputing Center, c/Jordi Girona 29, 08034 Barcelona, Spain","institution_ids":["https://openalex.org/I9617848","https://openalex.org/I2799803557"]},{"raw_affiliation_string":"Joint BSC-CRG-IRB Research Program in Computational Biology. Barcelona Supercomputing Center. c/ Jordi Girona 29, 08034 Barcelona, Spain","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006399866","display_name":"Modesto Orozco","orcid":"https://orcid.org/0000-0002-8608-3278"},"institutions":[{"id":"https://openalex.org/I2799803557","display_name":"Barcelona Supercomputing Center","ror":"https://ror.org/05sd8tv96","country_code":"ES","type":"facility","lineage":["https://openalex.org/I2799803557","https://openalex.org/I9617848"]},{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]},{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]},{"id":"https://openalex.org/I4210122345","display_name":"Institute for Research in Biomedicine","ror":"https://ror.org/01z1gye03","country_code":"ES","type":"healthcare","lineage":["https://openalex.org/I4210122345","https://openalex.org/I4210132884","https://openalex.org/I4387153040"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Modesto Orozco","raw_affiliation_strings":["Departament\rde Bioqu\u00edmica, Universitat de Barcelona, Avgda Diagona 647, 08029 Barcelona, Spain","Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Baldiri i Reixac 8, 08028 Barcelona, Spain","Joint\rBSC-CRG-IRB Research Program in Computational Biology, Barcelona Supercomputing Center, c/Jordi Girona 29, 08034 Barcelona, Spain","Joint BSC-CRG-IRB Research Program in Computational Biology. Barcelona Supercomputing Center. c/ Jordi Girona 29, 08034 Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Departament\rde Bioqu\u00edmica, Universitat de Barcelona, Avgda Diagona 647, 08029 Barcelona, Spain","institution_ids":["https://openalex.org/I71999127"]},{"raw_affiliation_string":"Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Baldiri i Reixac 8, 08028 Barcelona, Spain","institution_ids":["https://openalex.org/I4210122345"]},{"raw_affiliation_string":"Joint\rBSC-CRG-IRB Research Program in Computational Biology, Barcelona Supercomputing Center, c/Jordi Girona 29, 08034 Barcelona, Spain","institution_ids":["https://openalex.org/I9617848","https://openalex.org/I2799803557"]},{"raw_affiliation_string":"Joint BSC-CRG-IRB Research Program in Computational Biology. Barcelona Supercomputing Center. c/ Jordi Girona 29, 08034 Barcelona, Spain","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5060698638","display_name":"V\u0131\u0301ctor Guallar","orcid":"https://orcid.org/0000-0002-4580-1114"},"institutions":[{"id":"https://openalex.org/I2799803557","display_name":"Barcelona Supercomputing Center","ror":"https://ror.org/05sd8tv96","country_code":"ES","type":"facility","lineage":["https://openalex.org/I2799803557","https://openalex.org/I9617848"]},{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]},{"id":"https://openalex.org/I11932220","display_name":"Instituci\u00f3 Catalana de Recerca i Estudis Avan\u00e7ats","ror":"https://ror.org/0371hy230","country_code":"ES","type":"nonprofit","lineage":["https://openalex.org/I11932220"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Victor Guallar","raw_affiliation_strings":["Instituci\u00f3 Catalana de Recerca i Estudis Avan\u00e7ats, Passeig Llu\u00eds Companys 23, 08010 Barcelona, Spain","Joint\rBSC-CRG-IRB Research Program in Computational Biology, Barcelona Supercomputing Center, c/Jordi Girona 29, 08034 Barcelona, Spain","Joint BSC-CRG-IRB Research Program in Computational Biology. Barcelona Supercomputing Center. c/ Jordi Girona 29, 08034 Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Instituci\u00f3 Catalana de Recerca i Estudis Avan\u00e7ats, Passeig Llu\u00eds Companys 23, 08010 Barcelona, Spain","institution_ids":["https://openalex.org/I11932220"]},{"raw_affiliation_string":"Joint\rBSC-CRG-IRB Research Program in Computational Biology, Barcelona Supercomputing Center, c/Jordi Girona 29, 08034 Barcelona, Spain","institution_ids":["https://openalex.org/I9617848","https://openalex.org/I2799803557"]},{"raw_affiliation_string":"Joint BSC-CRG-IRB Research Program in Computational Biology. Barcelona Supercomputing Center. c/ Jordi Girona 29, 08034 Barcelona, Spain","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5103494036"],"corresponding_institution_ids":["https://openalex.org/I2799803557","https://openalex.org/I9617848"],"apc_list":null,"apc_paid":null,"fwci":2.0087,"has_fulltext":false,"cited_by_count":29,"citation_normalized_percentile":{"value":0.85413494,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"56","issue":"5","first_page":"915","last_page":"923"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10526","display_name":"HIV/AIDS drug development and treatment","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10526","display_name":"HIV/AIDS drug development and treatment","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"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/T10112","display_name":"HIV Research and Treatment","score":0.9987000226974487,"subfield":{"id":"https://openalex.org/subfields/2406","display_name":"Virology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9919000267982483,"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/human-immunodeficiency-virus","display_name":"Human immunodeficiency virus (HIV)","score":0.6078407168388367},{"id":"https://openalex.org/keywords/protease","display_name":"Protease","score":0.5914743542671204},{"id":"https://openalex.org/keywords/hiv-1-protease","display_name":"HIV-1 protease","score":0.530842661857605},{"id":"https://openalex.org/keywords/virology","display_name":"Virology","score":0.4771363437175751},{"id":"https://openalex.org/keywords/resistance","display_name":"Resistance (ecology)","score":0.43373575806617737},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.4017728567123413},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.3322484493255615},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.20358428359031677},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.1669609248638153}],"concepts":[{"id":"https://openalex.org/C3013748606","wikidata":"https://www.wikidata.org/wiki/Q15787","display_name":"Human immunodeficiency virus (HIV)","level":2,"score":0.6078407168388367},{"id":"https://openalex.org/C2776714187","wikidata":"https://www.wikidata.org/wiki/Q212410","display_name":"Protease","level":3,"score":0.5914743542671204},{"id":"https://openalex.org/C2777583353","wikidata":"https://www.wikidata.org/wiki/Q410261","display_name":"HIV-1 protease","level":4,"score":0.530842661857605},{"id":"https://openalex.org/C159047783","wikidata":"https://www.wikidata.org/wiki/Q7215","display_name":"Virology","level":1,"score":0.4771363437175751},{"id":"https://openalex.org/C57473165","wikidata":"https://www.wikidata.org/wiki/Q7315604","display_name":"Resistance (ecology)","level":2,"score":0.43373575806617737},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4017728567123413},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.3322484493255615},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.20358428359031677},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.1669609248638153},{"id":"https://openalex.org/C18903297","wikidata":"https://www.wikidata.org/wiki/Q7150","display_name":"Ecology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000069454","descriptor_name":"Darunavir","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000069454","descriptor_name":"Darunavir","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000069454","descriptor_name":"Darunavir","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002219","descriptor_name":"Carbamates","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D002219","descriptor_name":"Carbamates","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D002219","descriptor_name":"Carbamates","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D005663","descriptor_name":"Furans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005663","descriptor_name":"Furans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005663","descriptor_name":"Furans","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":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013449","descriptor_name":"Sulfonamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D013449","descriptor_name":"Sulfonamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D013449","descriptor_name":"Sulfonamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D015497","descriptor_name":"HIV-1","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D015497","descriptor_name":"HIV-1","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D015497","descriptor_name":"HIV-1","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D015497","descriptor_name":"HIV-1","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D015497","descriptor_name":"HIV-1","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D015497","descriptor_name":"HIV-1","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D016333","descriptor_name":"HIV Protease","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D016333","descriptor_name":"HIV Protease","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D016333","descriptor_name":"HIV Protease","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D016333","descriptor_name":"HIV Protease","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D016333","descriptor_name":"HIV Protease","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D016333","descriptor_name":"HIV Protease","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D016333","descriptor_name":"HIV Protease","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016333","descriptor_name":"HIV Protease","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016333","descriptor_name":"HIV Protease","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017320","descriptor_name":"HIV Protease Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D017320","descriptor_name":"HIV Protease Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D017320","descriptor_name":"HIV Protease Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D020128","descriptor_name":"Inhibitory Concentration 50","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020128","descriptor_name":"Inhibitory Concentration 50","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020128","descriptor_name":"Inhibitory Concentration 50","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020836","descriptor_name":"Protein Structure, Quaternary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020836","descriptor_name":"Protein Structure, Quaternary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020836","descriptor_name":"Protein Structure, Quaternary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D024882","descriptor_name":"Drug Resistance, Viral","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D024882","descriptor_name":"Drug Resistance, Viral","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D024882","descriptor_name":"Drug Resistance, Viral","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D055503","descriptor_name":"Protein Multimerization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055503","descriptor_name":"Protein Multimerization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055503","descriptor_name":"Protein Multimerization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1021/acs.jcim.5b00667","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00667","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:27082876","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/27082876","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:recercat.cat:2072/261482","is_oa":true,"landing_page_url":"http://hdl.handle.net/2117/86558","pdf_url":null,"source":{"id":"https://openalex.org/S4306402147","display_name":"RECERCAT (Consorci de Serveis Universitaris de Catalunya)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210090028","host_organization_name":"Consorci de Serveis Universitaris de Catalunya","host_organization_lineage":["https://openalex.org/I4210090028"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/submittedVersion"},{"id":"pmh:oai:upcommons.upc.edu:2117/86558","is_oa":true,"landing_page_url":"https://hdl.handle.net/2117/86558","pdf_url":null,"source":{"id":"https://openalex.org/S4210207057","display_name":"QRU Quaderns de Recerca en Urbanisme","issn_l":"2014-9689","issn":["2014-9689","2385-6777"],"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/P4310322448","host_organization_name":"Q71272178","host_organization_lineage":["https://openalex.org/P4310322448"],"host_organization_lineage_names":["Q71272178"],"type":"journal"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"Article"}],"best_oa_location":{"id":"pmh:oai:recercat.cat:2072/261482","is_oa":true,"landing_page_url":"http://hdl.handle.net/2117/86558","pdf_url":null,"source":{"id":"https://openalex.org/S4306402147","display_name":"RECERCAT (Consorci de Serveis Universitaris de Catalunya)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210090028","host_organization_name":"Consorci de Serveis Universitaris de Catalunya","host_organization_lineage":["https://openalex.org/I4210090028"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/submittedVersion"},"sustainable_development_goals":[{"score":0.8299999833106995,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"awards":[{"id":"https://openalex.org/G5057987186","display_name":null,"funder_award_id":"BIO2012-32868","funder_id":"https://openalex.org/F4320321837","funder_display_name":"Ministerio de Econom\u00eda y Competitividad"},{"id":"https://openalex.org/G6154111429","display_name":null,"funder_award_id":"CTQ2013-48287","funder_id":"https://openalex.org/F4320321837","funder_display_name":"Ministerio de Econom\u00eda y Competitividad"}],"funders":[{"id":"https://openalex.org/F4320321837","display_name":"Ministerio de Econom\u00eda y Competitividad","ror":"https://ror.org/034900433"},{"id":"https://openalex.org/F4320322121","display_name":"Instituci\u00f3 Catalana de Recerca i Estudis Avan\u00e7ats","ror":"https://ror.org/0371hy230"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":54,"referenced_works":["https://openalex.org/W265943136","https://openalex.org/W1576999979","https://openalex.org/W1957871368","https://openalex.org/W1966257707","https://openalex.org/W1968984443","https://openalex.org/W1970573493","https://openalex.org/W1976295381","https://openalex.org/W1980374511","https://openalex.org/W1986124907","https://openalex.org/W1995178176","https://openalex.org/W1997844736","https://openalex.org/W2003027607","https://openalex.org/W2003199949","https://openalex.org/W2009423060","https://openalex.org/W2014171916","https://openalex.org/W2014619388","https://openalex.org/W2019750909","https://openalex.org/W2021832765","https://openalex.org/W2023770186","https://openalex.org/W2031142437","https://openalex.org/W2031168104","https://openalex.org/W2035266068","https://openalex.org/W2038014125","https://openalex.org/W2046134251","https://openalex.org/W2055043387","https://openalex.org/W2067174909","https://openalex.org/W2083437452","https://openalex.org/W2092087990","https://openalex.org/W2092205375","https://openalex.org/W2094708689","https://openalex.org/W2095719702","https://openalex.org/W2097245338","https://openalex.org/W2101885498","https://openalex.org/W2103945336","https://openalex.org/W2106140689","https://openalex.org/W2106571163","https://openalex.org/W2118081870","https://openalex.org/W2118245054","https://openalex.org/W2125229283","https://openalex.org/W2131867753","https://openalex.org/W2133166320","https://openalex.org/W2137880195","https://openalex.org/W2140179827","https://openalex.org/W2140714126","https://openalex.org/W2152896082","https://openalex.org/W2154164013","https://openalex.org/W2157981460","https://openalex.org/W2159769151","https://openalex.org/W2161234507","https://openalex.org/W2161531618","https://openalex.org/W2318289184","https://openalex.org/W2519703809","https://openalex.org/W2883755802","https://openalex.org/W6756564037"],"related_works":["https://openalex.org/W2049250591","https://openalex.org/W2126525653","https://openalex.org/W2801493643","https://openalex.org/W2256372280","https://openalex.org/W4245621070","https://openalex.org/W2075748968","https://openalex.org/W1516237426","https://openalex.org/W2128025541","https://openalex.org/W1986563007","https://openalex.org/W1969009510"],"abstract_inverted_index":{"The":[0],"development":[1],"of":[2,11,32,57,102,124,148,161],"mutations":[3],"in":[4,16],"HIV-1":[5],"protease":[6],"(PR)":[7],"hinders":[8],"the":[9,68,88,97,149],"activity":[10],"antiretroviral":[12],"drugs,":[13],"forcing":[14],"changes":[15,151],"drug":[17,58],"prescription.":[18],"Most":[19],"resistance":[20,59,86,114],"assessments":[21],"used":[22],"to":[23,65,84],"date":[24],"rely":[25],"on":[26,29,120],"expert-based":[27],"rules":[28],"predefined":[30],"sets":[31],"stereotypical":[33],"mutations;":[34],"such":[35],"an":[36],"information-driven":[37],"approach":[38,145],"cannot":[39],"capture":[40],"new":[41,47],"polymorphisms":[42],"or":[43],"be":[44,62],"applied":[45],"for":[46,139],"drugs.":[48],"Computational":[49],"modeling":[50],"could":[51,61],"provide":[52],"a":[53,73,121,158],"more":[54,127],"general":[55],"assessment":[56],"and":[60,78,106,141],"made":[63],"available":[64],"clinicians":[66],"through":[67],"Internet.":[69],"We":[70,91,116],"have":[71],"created":[72],"protocol":[74],"involving":[75,157],"sequence":[76],"comparison":[77],"all-atom":[79],"protein-ligand":[80],"induced":[81],"fit":[82],"simulations":[83],"predict":[85],"at":[87],"molecular":[89],"level.":[90],"first":[92],"compared":[93],"our":[94],"predictions":[95],"with":[96],"experimentally":[98],"determined":[99],"IC50":[100],"values":[101],"darunavir,":[103],"amprenavir,":[104],"ritonavir,":[105],"indinavir":[107],"from":[108,134],"reference":[109],"PR":[110],"mutants":[111],"displaying":[112],"different":[113],"levels.":[115],"then":[117],"performed":[118],"analyses":[119],"large":[122,159],"set":[123],"variants":[125],"harboring":[126],"than":[128],"10":[129],"mutations.":[130,162],"Finally,":[131],"several":[132],"sequences":[133],"real":[135],"patients":[136],"were":[137],"analyzed":[138],"amprenavir":[140],"darunavir.":[142],"Our":[143],"computational":[144],"detected":[146],"all":[147],"genotype":[150],"triggering":[152],"high-level":[153],"resistance,":[154],"even":[155],"those":[156],"number":[160]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2023,"cited_by_count":6},{"year":2022,"cited_by_count":4},{"year":2020,"cited_by_count":8},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":1}],"updated_date":"2026-04-05T17:49:38.594831","created_date":"2025-10-10T00:00:00"}