{"id":"https://openalex.org/W2911609712","doi":"https://doi.org/10.1021/acs.jcim.8b00850","title":"Molecular Mechanism Regarding Allosteric Modulation of Ligand Binding and the Impact of Mutations on Dimerization for CCR5 Homodimer","display_name":"Molecular Mechanism Regarding Allosteric Modulation of Ligand Binding and the Impact of Mutations on Dimerization for CCR5 Homodimer","publication_year":2019,"publication_date":"2019-01-28","ids":{"openalex":"https://openalex.org/W2911609712","doi":"https://doi.org/10.1021/acs.jcim.8b00850","mag":"2911609712","pmid":"https://pubmed.ncbi.nlm.nih.gov/30688454"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.8b00850","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.8b00850","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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101718685","display_name":"Fuhui Zhang","orcid":"https://orcid.org/0000-0002-0123-1535"},"institutions":[{"id":"https://openalex.org/I24185976","display_name":"Sichuan University","ror":"https://ror.org/011ashp19","country_code":"CN","type":"education","lineage":["https://openalex.org/I24185976"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Fuhui Zhang","raw_affiliation_strings":["College of Chemistry, Sichuan University, Chengdu 610064, People\u2019s Republic of China","College of Chemistry, Sichuan University, Chengdu 610064, People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry, Sichuan University, Chengdu 610064, People\u2019s Republic of China","institution_ids":["https://openalex.org/I24185976"]},{"raw_affiliation_string":"College of Chemistry, Sichuan University, Chengdu 610064, People's Republic of China","institution_ids":["https://openalex.org/I24185976"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100334784","display_name":"Yuan Yuan","orcid":"https://orcid.org/0000-0002-8910-6017"},"institutions":[{"id":"https://openalex.org/I6645349","display_name":"Southwest Minzu University","ror":"https://ror.org/04gaexw88","country_code":"CN","type":"education","lineage":["https://openalex.org/I6645349"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yuan Yuan","raw_affiliation_strings":["College of Management, Southwest University for Nationalities, Chengdu 610041, People\u2019s Republic of China","College of Management, Southwest University for Nationalities, Chengdu 610041, People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Management, Southwest University for Nationalities, Chengdu 610041, People\u2019s Republic of China","institution_ids":["https://openalex.org/I6645349"]},{"raw_affiliation_string":"College of Management, Southwest University for Nationalities, Chengdu 610041, People's Republic of China","institution_ids":["https://openalex.org/I6645349"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044982108","display_name":"Minghui Xiang","orcid":"https://orcid.org/0000-0003-4050-3166"},"institutions":[{"id":"https://openalex.org/I24185976","display_name":"Sichuan University","ror":"https://ror.org/011ashp19","country_code":"CN","type":"education","lineage":["https://openalex.org/I24185976"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Minghui Xiang","raw_affiliation_strings":["College of Chemistry, Sichuan University, Chengdu 610064, People\u2019s Republic of China","College of Chemistry, Sichuan University, Chengdu 610064, People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry, Sichuan University, Chengdu 610064, People\u2019s Republic of China","institution_ids":["https://openalex.org/I24185976"]},{"raw_affiliation_string":"College of Chemistry, Sichuan University, Chengdu 610064, People's Republic of China","institution_ids":["https://openalex.org/I24185976"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100693805","display_name":"Yanzhi Guo","orcid":"https://orcid.org/0000-0003-2087-2757"},"institutions":[{"id":"https://openalex.org/I24185976","display_name":"Sichuan University","ror":"https://ror.org/011ashp19","country_code":"CN","type":"education","lineage":["https://openalex.org/I24185976"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yanzhi Guo","raw_affiliation_strings":["College of Chemistry, Sichuan University, Chengdu 610064, People\u2019s Republic of China","College of Chemistry, Sichuan University, Chengdu 610064, People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry, Sichuan University, Chengdu 610064, People\u2019s Republic of China","institution_ids":["https://openalex.org/I24185976"]},{"raw_affiliation_string":"College of Chemistry, Sichuan University, Chengdu 610064, People's Republic of China","institution_ids":["https://openalex.org/I24185976"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100703866","display_name":"Menglong Li","orcid":"https://orcid.org/0000-0001-7365-0344"},"institutions":[{"id":"https://openalex.org/I24185976","display_name":"Sichuan University","ror":"https://ror.org/011ashp19","country_code":"CN","type":"education","lineage":["https://openalex.org/I24185976"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Menglong Li","raw_affiliation_strings":["College of Chemistry, Sichuan University, Chengdu 610064, People\u2019s Republic of China","College of Chemistry, Sichuan University, Chengdu 610064, People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry, Sichuan University, Chengdu 610064, People\u2019s Republic of China","institution_ids":["https://openalex.org/I24185976"]},{"raw_affiliation_string":"College of Chemistry, Sichuan University, Chengdu 610064, People's Republic of China","institution_ids":["https://openalex.org/I24185976"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002021567","display_name":"Yijing Liu","orcid":"https://orcid.org/0000-0003-1068-4680"},"institutions":[{"id":"https://openalex.org/I24185976","display_name":"Sichuan University","ror":"https://ror.org/011ashp19","country_code":"CN","type":"education","lineage":["https://openalex.org/I24185976"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yijing Liu","raw_affiliation_strings":["College of Computer Science, Sichuan University, Chengdu 610064, People\u2019s Republic of China","College of Computer Science, Sichuan University, Chengdu 610064, People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Computer Science, Sichuan University, Chengdu 610064, People\u2019s Republic of China","institution_ids":["https://openalex.org/I24185976"]},{"raw_affiliation_string":"College of Computer Science, Sichuan University, Chengdu 610064, People's Republic of China","institution_ids":["https://openalex.org/I24185976"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5037593812","display_name":"Xuemei Pu","orcid":"https://orcid.org/0000-0002-5519-4258"},"institutions":[{"id":"https://openalex.org/I24185976","display_name":"Sichuan University","ror":"https://ror.org/011ashp19","country_code":"CN","type":"education","lineage":["https://openalex.org/I24185976"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xuemei Pu","raw_affiliation_strings":["College of Chemistry, Sichuan University, Chengdu 610064, People\u2019s Republic of China","College of Chemistry, Sichuan University, Chengdu 610064, People's Republic of China"],"raw_orcid":"https://orcid.org/0000-0002-5519-4258","affiliations":[{"raw_affiliation_string":"College of Chemistry, Sichuan University, Chengdu 610064, People\u2019s Republic of China","institution_ids":["https://openalex.org/I24185976"]},{"raw_affiliation_string":"College of Chemistry, Sichuan University, Chengdu 610064, People's Republic of China","institution_ids":["https://openalex.org/I24185976"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5037593812"],"corresponding_institution_ids":["https://openalex.org/I24185976"],"apc_list":null,"apc_paid":null,"fwci":0.7731,"has_fulltext":false,"cited_by_count":17,"citation_normalized_percentile":{"value":0.70306994,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"59","issue":"5","first_page":"1965","last_page":"1976"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9998999834060669,"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/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9998999834060669,"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/T11016","display_name":"Monoclonal and Polyclonal Antibodies Research","score":0.9993000030517578,"subfield":{"id":"https://openalex.org/subfields/2741","display_name":"Radiology, Nuclear Medicine and Imaging"},"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":0.9988999962806702,"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/allosteric-regulation","display_name":"Allosteric regulation","score":0.9052709341049194},{"id":"https://openalex.org/keywords/cooperativity","display_name":"Cooperativity","score":0.7113562822341919},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.669463574886322},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.667839765548706},{"id":"https://openalex.org/keywords/dimer","display_name":"Dimer","score":0.6115625500679016},{"id":"https://openalex.org/keywords/cooperative-binding","display_name":"Cooperative binding","score":0.560171365737915},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.5531799793243408},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.5043500661849976},{"id":"https://openalex.org/keywords/plasma-protein-binding","display_name":"Plasma protein binding","score":0.4661012887954712},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.4260184168815613},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.37889012694358826},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.3525717854499817},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.2854120135307312},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.20347356796264648},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.18522906303405762},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.130816251039505}],"concepts":[{"id":"https://openalex.org/C166342909","wikidata":"https://www.wikidata.org/wiki/Q845326","display_name":"Allosteric regulation","level":3,"score":0.9052709341049194},{"id":"https://openalex.org/C166014724","wikidata":"https://www.wikidata.org/wiki/Q337217","display_name":"Cooperativity","level":2,"score":0.7113562822341919},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.669463574886322},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.667839765548706},{"id":"https://openalex.org/C2779546866","wikidata":"https://www.wikidata.org/wiki/Q531306","display_name":"Dimer","level":2,"score":0.6115625500679016},{"id":"https://openalex.org/C187250156","wikidata":"https://www.wikidata.org/wiki/Q2902610","display_name":"Cooperative binding","level":3,"score":0.560171365737915},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.5531799793243408},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.5043500661849976},{"id":"https://openalex.org/C51639874","wikidata":"https://www.wikidata.org/wiki/Q167149","display_name":"Plasma protein binding","level":2,"score":0.4661012887954712},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.4260184168815613},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.37889012694358826},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3525717854499817},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.2854120135307312},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.20347356796264648},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.18522906303405762},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.130816251039505},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000077592","descriptor_name":"Maraviroc","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000077592","descriptor_name":"Maraviroc","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000077592","descriptor_name":"Maraviroc","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019713","descriptor_name":"Receptors, CCR5","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D019713","descriptor_name":"Receptors, CCR5","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D019713","descriptor_name":"Receptors, CCR5","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D019713","descriptor_name":"Receptors, CCR5","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D019713","descriptor_name":"Receptors, CCR5","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D019713","descriptor_name":"Receptors, CCR5","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D019713","descriptor_name":"Receptors, CCR5","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019713","descriptor_name":"Receptors, CCR5","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019713","descriptor_name":"Receptors, CCR5","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D055503","descriptor_name":"Protein Multimerization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055503","descriptor_name":"Protein Multimerization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055503","descriptor_name":"Protein Multimerization","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":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","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":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.8b00850","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.8b00850","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:30688454","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30688454","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}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.8299999833106995}],"awards":[{"id":"https://openalex.org/G2369512285","display_name":null,"funder_award_id":"21573151","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G3360359472","display_name":null,"funder_award_id":"U1730127","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":89,"referenced_works":["https://openalex.org/W1602000691","https://openalex.org/W1602835962","https://openalex.org/W1607931568","https://openalex.org/W1963893536","https://openalex.org/W1963896491","https://openalex.org/W1965984853","https://openalex.org/W1968984443","https://openalex.org/W1973606162","https://openalex.org/W1976548894","https://openalex.org/W1979194254","https://openalex.org/W1980316738","https://openalex.org/W1982559827","https://openalex.org/W1984561421","https://openalex.org/W1986719264","https://openalex.org/W1988097700","https://openalex.org/W1989096170","https://openalex.org/W1989804720","https://openalex.org/W1992899488","https://openalex.org/W1994907927","https://openalex.org/W1996183144","https://openalex.org/W1996828751","https://openalex.org/W1997773971","https://openalex.org/W1999068689","https://openalex.org/W2001767546","https://openalex.org/W2002986422","https://openalex.org/W2013239221","https://openalex.org/W2014055152","https://openalex.org/W2017713787","https://openalex.org/W2017977773","https://openalex.org/W2019469354","https://openalex.org/W2023980306","https://openalex.org/W2024704410","https://openalex.org/W2027790571","https://openalex.org/W2028050078","https://openalex.org/W2031772330","https://openalex.org/W2033118734","https://openalex.org/W2033650210","https://openalex.org/W2035266068","https://openalex.org/W2035687084","https://openalex.org/W2041791106","https://openalex.org/W2052392084","https://openalex.org/W2055123316","https://openalex.org/W2058200774","https://openalex.org/W2062926294","https://openalex.org/W2064926659","https://openalex.org/W2068007832","https://openalex.org/W2068808456","https://openalex.org/W2070023786","https://openalex.org/W2075770210","https://openalex.org/W2077455410","https://openalex.org/W2078304042","https://openalex.org/W2092021793","https://openalex.org/W2092443343","https://openalex.org/W2093407764","https://openalex.org/W2093640268","https://openalex.org/W2098876955","https://openalex.org/W2102520910","https://openalex.org/W2105316610","https://openalex.org/W2105332853","https://openalex.org/W2105398220","https://openalex.org/W2110783096","https://openalex.org/W2111387452","https://openalex.org/W2122629591","https://openalex.org/W2135558815","https://openalex.org/W2138314961","https://openalex.org/W2141956263","https://openalex.org/W2146933058","https://openalex.org/W2151795480","https://openalex.org/W2152853006","https://openalex.org/W2155448435","https://openalex.org/W2157458341","https://openalex.org/W2158606064","https://openalex.org/W2160767768","https://openalex.org/W2167230971","https://openalex.org/W2206954826","https://openalex.org/W2329789123","https://openalex.org/W2404280981","https://openalex.org/W2469210561","https://openalex.org/W2470899874","https://openalex.org/W2507480580","https://openalex.org/W2520796173","https://openalex.org/W2762480794","https://openalex.org/W2772631634","https://openalex.org/W2774153857","https://openalex.org/W2800786949","https://openalex.org/W2801677778","https://openalex.org/W2803349860","https://openalex.org/W2803500641","https://openalex.org/W4236424056"],"related_works":["https://openalex.org/W2117032992","https://openalex.org/W2752794680","https://openalex.org/W2747094833","https://openalex.org/W1982170406","https://openalex.org/W2572355597","https://openalex.org/W4244005486","https://openalex.org/W2523761308","https://openalex.org/W1997135566","https://openalex.org/W1971229210","https://openalex.org/W2336169204"],"abstract_inverted_index":{"In":[0],"this":[1],"work,":[2],"we":[3],"combined":[4],"accelerated":[5],"molecular":[6,11],"dynamics":[7,12],"(aMD)":[8],"and":[9,29,40,45,66,88,106,174,214],"conventional":[10],"(cMD)":[13],"simulations":[14],"coupled":[15],"with":[16,81],"the":[17,36,41,48,55,60,69,72,79,93,103,107,113,121,132,137,146,150,154,161,175,181,189,199,206,209],"potential":[18],"of":[19,38,43,59,128,149,205,208],"mean":[20],"force":[21],"(PMF),":[22],"correlation":[23,176],"analysis,":[24],"principal":[25],"component":[26],"analysis":[27,177],"(PCA),":[28],"protein":[30],"structure":[31,105,207],"network":[32],"(PSN)":[33],"to":[34,53,67,120,131,193],"study":[35],"effects":[37],"dimerization":[39,97],"mutations":[42,183],"I52V":[44],"V150A":[46],"on":[47,102],"CCR5":[49,94],"homodimer,":[50],"in":[51,84,160,188],"order":[52],"elucidate":[54],"mechanism":[56],"regarding":[57],"cooperativity":[58],"ligand":[61],"binding":[62,119,127],"between":[63,153],"two":[64,114,155,166,182],"protomers":[65,115],"address":[68],"controversy":[70],"about":[71],"mutation-induced":[73],"dimer-separation.":[74],"The":[75,96,126,141,169,196],"results":[76,170],"reveal":[77],"that":[78,180],"dimer":[80],"interface":[82],"involved":[83],"TM1,":[85],"TM2,":[86],"TM3,":[87],"TM4":[89],"is":[90,134,139],"stable":[91],"for":[92,216],"homodimer.":[95],"induces":[98],"an":[99,117],"asymmetric":[100,118],"impact":[101],"overall":[104],"ligand-binding":[108,151],"pocket.":[109],"As":[110],"a":[111],"result,":[112],"exhibit":[116],"maraviroc":[122],"(one":[123],"anti-HIV":[124],"drug).":[125],"one":[129],"protomer":[130],"drug":[133],"enhanced":[135],"while":[136],"other":[138],"weakened.":[140],"PSN":[142],"result":[143],"further":[144],"reveals":[145],"allosteric":[147],"pathway":[148,162],"pocket":[152],"protomers.":[156],"Six":[157],"important":[158],"residues":[159,167],"were":[163],"identified,":[164],"including":[165],"unreported.":[168],"from":[171,198],"PMF,":[172],"PCA,":[173],"clearly":[178],"indicate":[179],"induce":[184],"strong":[185],"anticorrelation":[186],"motions":[187],"interface,":[190],"finally":[191],"leading":[192],"its":[194],"separation.":[195],"observations":[197],"work":[200],"could":[201],"advance":[202],"our":[203],"understanding":[204],"G":[210],"protein-coupled":[211],"receptor":[212],"dimers":[213],"implications":[215],"their":[217],"functions.":[218]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":3}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
