{"id":"https://openalex.org/W2148010538","doi":"https://doi.org/10.1093/bioinformatics/btr683","title":"Inhibition of HIV-1 protease: the rigidity perspective","display_name":"Inhibition of HIV-1 protease: the rigidity perspective","publication_year":2012,"publication_date":"2012-01-25","ids":{"openalex":"https://openalex.org/W2148010538","doi":"https://doi.org/10.1093/bioinformatics/btr683","mag":"2148010538","pmid":"https://pubmed.ncbi.nlm.nih.gov/22291339"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btr683","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btr683","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/28/3/350/48878547/bioinformatics_28_3_350.pdf","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":true,"oa_status":"bronze","oa_url":"https://academic.oup.com/bioinformatics/article-pdf/28/3/350/48878547/bioinformatics_28_3_350.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5021555677","display_name":"Jack W. Heal","orcid":null},"institutions":[{"id":"https://openalex.org/I39555362","display_name":"University of Warwick","ror":"https://ror.org/01a77tt86","country_code":"GB","type":"education","lineage":["https://openalex.org/I39555362"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"J. W. Heal","raw_affiliation_strings":["1 MOAC Doctoral Training Centre, 2Department of Physics and Centre for Scientific Computing and 3School of Life Sciences, University of Warwick, Coventry CV4 7AL, UK"],"affiliations":[{"raw_affiliation_string":"1 MOAC Doctoral Training Centre, 2Department of Physics and Centre for Scientific Computing and 3School of Life Sciences, University of Warwick, Coventry CV4 7AL, UK","institution_ids":["https://openalex.org/I39555362"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057375581","display_name":"J. Emilio Jimenez\u2010Roldan","orcid":null},"institutions":[{"id":"https://openalex.org/I39555362","display_name":"University of Warwick","ror":"https://ror.org/01a77tt86","country_code":"GB","type":"education","lineage":["https://openalex.org/I39555362"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"J. E. Jimenez-Roldan","raw_affiliation_strings":["1 MOAC Doctoral Training Centre, 2Department of Physics and Centre for Scientific Computing and 3School of Life Sciences, University of Warwick, Coventry CV4 7AL, UK"],"affiliations":[{"raw_affiliation_string":"1 MOAC Doctoral Training Centre, 2Department of Physics and Centre for Scientific Computing and 3School of Life Sciences, University of Warwick, Coventry CV4 7AL, UK","institution_ids":["https://openalex.org/I39555362"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023896568","display_name":"Stephen A. Wells","orcid":"https://orcid.org/0000-0002-3920-3644"},"institutions":[{"id":"https://openalex.org/I39555362","display_name":"University of Warwick","ror":"https://ror.org/01a77tt86","country_code":"GB","type":"education","lineage":["https://openalex.org/I39555362"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"S. A. Wells","raw_affiliation_strings":["1 MOAC Doctoral Training Centre, 2Department of Physics and Centre for Scientific Computing and 3School of Life Sciences, University of Warwick, Coventry CV4 7AL, UK"],"affiliations":[{"raw_affiliation_string":"1 MOAC Doctoral Training Centre, 2Department of Physics and Centre for Scientific Computing and 3School of Life Sciences, University of Warwick, Coventry CV4 7AL, UK","institution_ids":["https://openalex.org/I39555362"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111891252","display_name":"Robert B. Freedman","orcid":null},"institutions":[{"id":"https://openalex.org/I39555362","display_name":"University of Warwick","ror":"https://ror.org/01a77tt86","country_code":"GB","type":"education","lineage":["https://openalex.org/I39555362"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"R. B. Freedman","raw_affiliation_strings":["1 MOAC Doctoral Training Centre, 2Department of Physics and Centre for Scientific Computing and 3School of Life Sciences, University of Warwick, Coventry CV4 7AL, UK"],"affiliations":[{"raw_affiliation_string":"1 MOAC Doctoral Training Centre, 2Department of Physics and Centre for Scientific Computing and 3School of Life Sciences, University of Warwick, Coventry CV4 7AL, UK","institution_ids":["https://openalex.org/I39555362"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5054542530","display_name":"Rudolf A. R\u00f6mer","orcid":"https://orcid.org/0000-0002-8719-3313"},"institutions":[{"id":"https://openalex.org/I39555362","display_name":"University of Warwick","ror":"https://ror.org/01a77tt86","country_code":"GB","type":"education","lineage":["https://openalex.org/I39555362"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"R. A. R\u00f6mer","raw_affiliation_strings":["1 MOAC Doctoral Training Centre, 2Department of Physics and Centre for Scientific Computing and 3School of Life Sciences, University of Warwick, Coventry CV4 7AL, UK"],"affiliations":[{"raw_affiliation_string":"1 MOAC Doctoral Training Centre, 2Department of Physics and Centre for Scientific Computing and 3School of Life Sciences, University of Warwick, Coventry CV4 7AL, UK","institution_ids":["https://openalex.org/I39555362"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5021555677","https://openalex.org/A5054542530"],"corresponding_institution_ids":["https://openalex.org/I39555362"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":null,"fwci":2.1096,"has_fulltext":false,"cited_by_count":33,"citation_normalized_percentile":{"value":0.86898445,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"28","issue":"3","first_page":"350","last_page":"357"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10112","display_name":"HIV Research and Treatment","score":0.9998999834060669,"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"}},"topics":[{"id":"https://openalex.org/T10112","display_name":"HIV Research and Treatment","score":0.9998999834060669,"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/T10526","display_name":"HIV/AIDS drug development and treatment","score":0.9998999834060669,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9954000115394592,"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/rigidity","display_name":"Rigidity (electromagnetism)","score":0.734437108039856},{"id":"https://openalex.org/keywords/hiv-1-protease","display_name":"HIV-1 protease","score":0.6674267053604126},{"id":"https://openalex.org/keywords/protease","display_name":"Protease","score":0.6579538583755493},{"id":"https://openalex.org/keywords/active-site","display_name":"Active site","score":0.5076128244400024},{"id":"https://openalex.org/keywords/human-immunodeficiency-virus","display_name":"Human immunodeficiency virus (HIV)","score":0.48878976702690125},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.440170556306839},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.42601677775382996},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.38364332914352417},{"id":"https://openalex.org/keywords/virology","display_name":"Virology","score":0.32021981477737427},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2622009515762329},{"id":"https://openalex.org/keywords/structural-engineering","display_name":"Structural engineering","score":0.10573121905326843},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.07762816548347473}],"concepts":[{"id":"https://openalex.org/C160343418","wikidata":"https://www.wikidata.org/wiki/Q185256","display_name":"Rigidity (electromagnetism)","level":2,"score":0.734437108039856},{"id":"https://openalex.org/C2777583353","wikidata":"https://www.wikidata.org/wiki/Q410261","display_name":"HIV-1 protease","level":4,"score":0.6674267053604126},{"id":"https://openalex.org/C2776714187","wikidata":"https://www.wikidata.org/wiki/Q212410","display_name":"Protease","level":3,"score":0.6579538583755493},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.5076128244400024},{"id":"https://openalex.org/C3013748606","wikidata":"https://www.wikidata.org/wiki/Q15787","display_name":"Human immunodeficiency virus (HIV)","level":2,"score":0.48878976702690125},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.440170556306839},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.42601677775382996},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.38364332914352417},{"id":"https://openalex.org/C159047783","wikidata":"https://www.wikidata.org/wiki/Q7215","display_name":"Virology","level":1,"score":0.32021981477737427},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2622009515762329},{"id":"https://openalex.org/C66938386","wikidata":"https://www.wikidata.org/wiki/Q633538","display_name":"Structural engineering","level":1,"score":0.10573121905326843},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.07762816548347473}],"mesh":[{"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":"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":"D015497","descriptor_name":"HIV-1","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D015497","descriptor_name":"HIV-1","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D015497","descriptor_name":"HIV-1","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":"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":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017320","descriptor_name":"HIV Protease Inhibitors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017320","descriptor_name":"HIV Protease Inhibitors","qualifier_ui":"Q000378","qualifier_name":"metabolism","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":"D017320","descriptor_name":"HIV Protease Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017320","descriptor_name":"HIV Protease Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017320","descriptor_name":"HIV Protease Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1093/bioinformatics/btr683","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btr683","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/28/3/350/48878547/bioinformatics_28_3_350.pdf","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:22291339","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22291339","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":{"id":"doi:10.1093/bioinformatics/btr683","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btr683","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/28/3/350/48878547/bioinformatics_28_3_350.pdf","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"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/12","display_name":"Responsible consumption and production","score":0.5}],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2148010538.pdf","grobid_xml":"https://content.openalex.org/works/W2148010538.grobid-xml"},"referenced_works_count":45,"referenced_works":["https://openalex.org/W1545971828","https://openalex.org/W1605316185","https://openalex.org/W1965346275","https://openalex.org/W1976272154","https://openalex.org/W1982550173","https://openalex.org/W1984276811","https://openalex.org/W1987153424","https://openalex.org/W1991696252","https://openalex.org/W1992185682","https://openalex.org/W1997983628","https://openalex.org/W2011668781","https://openalex.org/W2019004327","https://openalex.org/W2021759674","https://openalex.org/W2024491456","https://openalex.org/W2040660309","https://openalex.org/W2053410564","https://openalex.org/W2055561941","https://openalex.org/W2057400263","https://openalex.org/W2058349112","https://openalex.org/W2060099174","https://openalex.org/W2060740730","https://openalex.org/W2065259239","https://openalex.org/W2071421333","https://openalex.org/W2072413963","https://openalex.org/W2082653344","https://openalex.org/W2089382521","https://openalex.org/W2093547815","https://openalex.org/W2094351443","https://openalex.org/W2101481219","https://openalex.org/W2102174621","https://openalex.org/W2103885137","https://openalex.org/W2105175831","https://openalex.org/W2105371577","https://openalex.org/W2115339329","https://openalex.org/W2124660391","https://openalex.org/W2130479394","https://openalex.org/W2138880759","https://openalex.org/W2142134255","https://openalex.org/W2142640685","https://openalex.org/W2144984387","https://openalex.org/W2147858709","https://openalex.org/W2165732545","https://openalex.org/W2953288379","https://openalex.org/W3026032990","https://openalex.org/W6675539791"],"related_works":["https://openalex.org/W2049250591","https://openalex.org/W2126525653","https://openalex.org/W1516237426","https://openalex.org/W2256372280","https://openalex.org/W4245621070","https://openalex.org/W1973441633","https://openalex.org/W2801493643","https://openalex.org/W2075748968","https://openalex.org/W2128025541","https://openalex.org/W1986563007"],"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":2},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":4},{"year":2015,"cited_by_count":8},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":4}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
