{"id":"https://openalex.org/W4385798778","doi":"https://doi.org/10.1021/acs.jcim.3c00641","title":"On the Dynamic Mechanism of Long-Flexible Fatty Acid Binding to Fatty Acid Binding Protein: Resolving the Long-Standing Debate","display_name":"On the Dynamic Mechanism of Long-Flexible Fatty Acid Binding to Fatty Acid Binding Protein: Resolving the Long-Standing Debate","publication_year":2023,"publication_date":"2023-08-14","ids":{"openalex":"https://openalex.org/W4385798778","doi":"https://doi.org/10.1021/acs.jcim.3c00641","pmid":"https://pubmed.ncbi.nlm.nih.gov/37574904"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.3c00641","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00641","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/A5003066627","display_name":"Haiyi Chen","orcid":"https://orcid.org/0000-0001-8196-5426"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210099135","display_name":"Wuhan Institute of Physics and Mathematics","ror":"https://ror.org/00zky9d41","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210099135"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Haiyi Chen","raw_affiliation_strings":["College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","Liangzhu Laboratory, Zhejiang University Medical Center, Hangzhou 311121, Zhejiang, China","National Centre for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, Hubei, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"Liangzhu Laboratory, Zhejiang University Medical Center, Hangzhou 311121, Zhejiang, China","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"National Centre for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, Hubei, China","institution_ids":["https://openalex.org/I4210099135","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102625122","display_name":"Yue Guo","orcid":"https://orcid.org/0000-0003-4191-3183"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210099135","display_name":"Wuhan Institute of Physics and Mathematics","ror":"https://ror.org/00zky9d41","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210099135"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yue Guo","raw_affiliation_strings":["National Centre for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, Hubei, China","University of Chinese Academy of Sciences, Beijing 100049, People\u2019s Republic of China","University of Chinese Academy of Sciences, Beijing 100049, People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Centre for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, Hubei, China","institution_ids":["https://openalex.org/I4210099135","https://openalex.org/I19820366"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing 100049, People\u2019s Republic of China","institution_ids":["https://openalex.org/I4210165038"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing 100049, People's Republic of China","institution_ids":["https://openalex.org/I4210165038"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003680258","display_name":"Shengqing Ye","orcid":"https://orcid.org/0000-0002-6917-0505"},"institutions":[{"id":"https://openalex.org/I4210166576","display_name":"First Affiliated Hospital Zhejiang University","ror":"https://ror.org/05m1p5x56","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210166576"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shengqing Ye","raw_affiliation_strings":["Department of Biochemistry & Research Center of Clinical Pharmacy of the First Affiliated Hospital, Zhejiang University School of medicine, Hangzhou 310058, China","Liangzhu Laboratory, Zhejiang University Medical Center, Hangzhou 311121, Zhejiang, China"],"raw_orcid":"https://orcid.org/0000-0002-6917-0505","affiliations":[{"raw_affiliation_string":"Department of Biochemistry & Research Center of Clinical Pharmacy of the First Affiliated Hospital, Zhejiang University School of medicine, Hangzhou 310058, China","institution_ids":["https://openalex.org/I76130692","https://openalex.org/I4210166576"]},{"raw_affiliation_string":"Liangzhu Laboratory, Zhejiang University Medical Center, Hangzhou 311121, Zhejiang, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007021860","display_name":"Jintu Zhang","orcid":"https://orcid.org/0000-0001-9580-3241"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jintu Zhang","raw_affiliation_strings":["College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","Liangzhu Laboratory, Zhejiang University Medical Center, Hangzhou 311121, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"Liangzhu Laboratory, Zhejiang University Medical Center, Hangzhou 311121, Zhejiang, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5115594786","display_name":"Haotian Zhang","orcid":"https://orcid.org/0009-0008-1415-6221"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Haotian Zhang","raw_affiliation_strings":["College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","Liangzhu Laboratory, Zhejiang University Medical Center, Hangzhou 311121, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"Liangzhu Laboratory, Zhejiang University Medical Center, Hangzhou 311121, Zhejiang, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100389799","display_name":"Na Liu","orcid":"https://orcid.org/0000-0003-1432-3858"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210099135","display_name":"Wuhan Institute of Physics and Mathematics","ror":"https://ror.org/00zky9d41","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210099135"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Na Liu","raw_affiliation_strings":["National Centre for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, Hubei, China","University of Chinese Academy of Sciences, Beijing 100049, People\u2019s Republic of China","University of Chinese Academy of Sciences, Beijing 100049, People's Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Centre for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, Hubei, China","institution_ids":["https://openalex.org/I4210099135","https://openalex.org/I19820366"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing 100049, People\u2019s Republic of China","institution_ids":["https://openalex.org/I4210165038"]},{"raw_affiliation_string":"University of Chinese Academy of Sciences, Beijing 100049, People's Republic of China","institution_ids":["https://openalex.org/I4210165038"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090784984","display_name":"Rui Zhou","orcid":"https://orcid.org/0000-0002-0782-4761"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210099135","display_name":"Wuhan Institute of Physics and Mathematics","ror":"https://ror.org/00zky9d41","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210099135"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Rui Zhou","raw_affiliation_strings":["National Centre for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, Hubei, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Centre for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, Hubei, China","institution_ids":["https://openalex.org/I4210099135","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028525523","display_name":"Tingjun Hou","orcid":"https://orcid.org/0000-0001-7227-2580"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Tingjun Hou","raw_affiliation_strings":["College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"],"raw_orcid":"https://orcid.org/0000-0001-7227-2580","affiliations":[{"raw_affiliation_string":"College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016396182","display_name":"Hongguang Xia","orcid":"https://orcid.org/0000-0003-3044-9282"},"institutions":[{"id":"https://openalex.org/I4210166576","display_name":"First Affiliated Hospital Zhejiang University","ror":"https://ror.org/05m1p5x56","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210166576"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Hongguang Xia","raw_affiliation_strings":["Department of Biochemistry & Research Center of Clinical Pharmacy of the First Affiliated Hospital, Zhejiang University School of medicine, Hangzhou 310058, China","Liangzhu Laboratory, Zhejiang University Medical Center, Hangzhou 311121, Zhejiang, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry & Research Center of Clinical Pharmacy of the First Affiliated Hospital, Zhejiang University School of medicine, Hangzhou 310058, China","institution_ids":["https://openalex.org/I76130692","https://openalex.org/I4210166576"]},{"raw_affiliation_string":"Liangzhu Laboratory, Zhejiang University Medical Center, Hangzhou 311121, Zhejiang, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100624617","display_name":"Yu Kang","orcid":"https://orcid.org/0000-0002-0999-8802"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yu Kang","raw_affiliation_strings":["College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China"],"raw_orcid":"https://orcid.org/0000-0002-0999-8802","affiliations":[{"raw_affiliation_string":"College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5043239673","display_name":"Mojie Duan","orcid":"https://orcid.org/0000-0002-5496-832X"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210099135","display_name":"Wuhan Institute of Physics and Mathematics","ror":"https://ror.org/00zky9d41","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210099135"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Mojie Duan","raw_affiliation_strings":["National Centre for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, Hubei, China"],"raw_orcid":"https://orcid.org/0000-0002-5496-832X","affiliations":[{"raw_affiliation_string":"National Centre for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, Hubei, China","institution_ids":["https://openalex.org/I4210099135","https://openalex.org/I19820366"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":11,"corresponding_author_ids":["https://openalex.org/A5016396182","https://openalex.org/A5043239673","https://openalex.org/A5100624617"],"corresponding_institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210099135","https://openalex.org/I4210166576","https://openalex.org/I76130692"],"apc_list":null,"apc_paid":null,"fwci":0.2897,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.63116747,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":98},"biblio":{"volume":"63","issue":"16","first_page":"5232","last_page":"5243"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11072","display_name":"Peroxisome Proliferator-Activated Receptors","score":0.9998000264167786,"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/T11072","display_name":"Peroxisome Proliferator-Activated Receptors","score":0.9998000264167786,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9969000220298767,"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/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9955000281333923,"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/fatty-acid-binding-protein","display_name":"Fatty acid-binding protein","score":0.8970911502838135},{"id":"https://openalex.org/keywords/adipocyte-protein-2","display_name":"adipocyte protein 2","score":0.6698606014251709},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5874490141868591},{"id":"https://openalex.org/keywords/fatty-acid","display_name":"Fatty acid","score":0.5120592713356018},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.47850456833839417},{"id":"https://openalex.org/keywords/binding-protein","display_name":"Binding protein","score":0.4737813472747803},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.4714035987854004},{"id":"https://openalex.org/keywords/apoptosis","display_name":"Apoptosis","score":0.4679132103919983},{"id":"https://openalex.org/keywords/dissociation-rate","display_name":"Dissociation rate","score":0.4606902599334717},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.4585340917110443},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.4539565443992615},{"id":"https://openalex.org/keywords/stearic-acid","display_name":"Stearic acid","score":0.44564875960350037},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.43771201372146606},{"id":"https://openalex.org/keywords/cell-biology","display_name":"Cell biology","score":0.42524832487106323},{"id":"https://openalex.org/keywords/dissociation","display_name":"Dissociation (chemistry)","score":0.3984101116657257},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.3531022369861603},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.22968026995658875},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.0997101366519928}],"concepts":[{"id":"https://openalex.org/C2776834966","wikidata":"https://www.wikidata.org/wiki/Q4082494","display_name":"Fatty acid-binding protein","level":3,"score":0.8970911502838135},{"id":"https://openalex.org/C24972589","wikidata":"https://www.wikidata.org/wiki/Q14889263","display_name":"adipocyte protein 2","level":3,"score":0.6698606014251709},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5874490141868591},{"id":"https://openalex.org/C543025807","wikidata":"https://www.wikidata.org/wiki/Q61476","display_name":"Fatty acid","level":2,"score":0.5120592713356018},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.47850456833839417},{"id":"https://openalex.org/C553089730","wikidata":"https://www.wikidata.org/wiki/Q4914021","display_name":"Binding protein","level":3,"score":0.4737813472747803},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.4714035987854004},{"id":"https://openalex.org/C190283241","wikidata":"https://www.wikidata.org/wiki/Q14599311","display_name":"Apoptosis","level":2,"score":0.4679132103919983},{"id":"https://openalex.org/C2779712033","wikidata":"https://www.wikidata.org/wiki/Q28208841","display_name":"Dissociation rate","level":3,"score":0.4606902599334717},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.4585340917110443},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.4539565443992615},{"id":"https://openalex.org/C2779516699","wikidata":"https://www.wikidata.org/wiki/Q209685","display_name":"Stearic acid","level":2,"score":0.44564875960350037},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.43771201372146606},{"id":"https://openalex.org/C95444343","wikidata":"https://www.wikidata.org/wiki/Q7141","display_name":"Cell biology","level":1,"score":0.42524832487106323},{"id":"https://openalex.org/C102931765","wikidata":"https://www.wikidata.org/wiki/Q189673","display_name":"Dissociation (chemistry)","level":2,"score":0.3984101116657257},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.3531022369861603},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.22968026995658875},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0997101366519928},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D005227","descriptor_name":"Fatty Acids","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D005227","descriptor_name":"Fatty Acids","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D005227","descriptor_name":"Fatty Acids","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D005227","descriptor_name":"Fatty Acids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005227","descriptor_name":"Fatty Acids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005227","descriptor_name":"Fatty Acids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009363","descriptor_name":"Neoplasm Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D009363","descriptor_name":"Neoplasm Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D009363","descriptor_name":"Neoplasm Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"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":"D050556","descriptor_name":"Fatty Acid-Binding Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D050556","descriptor_name":"Fatty Acid-Binding Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D050556","descriptor_name":"Fatty Acid-Binding Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.3c00641","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00641","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:37574904","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37574904","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":[{"score":0.8199999928474426,"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy"}],"awards":[{"id":"https://openalex.org/G182752003","display_name":null,"funder_award_id":"2022YFF1203003","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"},{"id":"https://openalex.org/G227839669","display_name":null,"funder_award_id":"81973281","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G4950479446","display_name":null,"funder_award_id":"32222023","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5416607379","display_name":null,"funder_award_id":"2022M712797","funder_id":"https://openalex.org/F4320321543","funder_display_name":"China Postdoctoral Science Foundation"},{"id":"https://openalex.org/G5784876785","display_name":null,"funder_award_id":"21773298","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6498217183","display_name":null,"funder_award_id":"82204280","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6719359557","display_name":null,"funder_award_id":"LR22C070002","funder_id":"https://openalex.org/F4320338464","funder_display_name":"Natural Science Foundation of Zhejiang Province"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321543","display_name":"China Postdoctoral Science Foundation","ror":"https://ror.org/0426zh255"},{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null},{"id":"https://openalex.org/F4320338464","display_name":"Natural Science Foundation of Zhejiang Province","ror":"https://ror.org/01h0zpd94"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":55,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1624860839","https://openalex.org/W1872721533","https://openalex.org/W1874130373","https://openalex.org/W1970056790","https://openalex.org/W1981438488","https://openalex.org/W1982074032","https://openalex.org/W1983699304","https://openalex.org/W1987048011","https://openalex.org/W1987120082","https://openalex.org/W1993495903","https://openalex.org/W1993882335","https://openalex.org/W1995907662","https://openalex.org/W1996476188","https://openalex.org/W1998404217","https://openalex.org/W1998793317","https://openalex.org/W1999522888","https://openalex.org/W2001471462","https://openalex.org/W2002795847","https://openalex.org/W2002867805","https://openalex.org/W2003505233","https://openalex.org/W2013955684","https://openalex.org/W2026502600","https://openalex.org/W2034937725","https://openalex.org/W2035527380","https://openalex.org/W2057806291","https://openalex.org/W2063945425","https://openalex.org/W2065163619","https://openalex.org/W2065213124","https://openalex.org/W2066951434","https://openalex.org/W2067174909","https://openalex.org/W2081273196","https://openalex.org/W2085829368","https://openalex.org/W2087244589","https://openalex.org/W2091392856","https://openalex.org/W2091765279","https://openalex.org/W2103325328","https://openalex.org/W2106140689","https://openalex.org/W2132537184","https://openalex.org/W2135619410","https://openalex.org/W2139297590","https://openalex.org/W2139593118","https://openalex.org/W2144288821","https://openalex.org/W2146411229","https://openalex.org/W2147993766","https://openalex.org/W2165414288","https://openalex.org/W2166393142","https://openalex.org/W2167468911","https://openalex.org/W2183230444","https://openalex.org/W2336283030","https://openalex.org/W2525524736","https://openalex.org/W2598374175","https://openalex.org/W2600773364","https://openalex.org/W2618891355","https://openalex.org/W2960337435"],"related_works":["https://openalex.org/W588721149","https://openalex.org/W3144957549","https://openalex.org/W4385798778","https://openalex.org/W2740883609","https://openalex.org/W2017929105","https://openalex.org/W1970641718","https://openalex.org/W1593822574","https://openalex.org/W2351875398","https://openalex.org/W2135717475","https://openalex.org/W1967589757"],"abstract_inverted_index":{"Fatty":[0],"acids":[1],"(FAs)":[2],"are":[3,36],"one":[4],"of":[5,53,87,108,116,133,147,153,170,183,187,192],"the":[6,50,54,61,84,104,109,114,117,124,130,136,145,148,151,154,163,167,173,181,184,190],"essential":[7],"energy":[8],"sources":[9],"for":[10,103],"physiological":[11],"processes,":[12],"and":[13,22,28,30,46,66,78,93,144,189],"they":[14],"play":[15],"a":[16],"vital":[17],"role":[18],"in":[19,129],"regulating":[20],"immune":[21],"inflammatory":[23],"responses,":[24],"promoting":[25],"cell":[26],"differentiation":[27],"apoptosis,":[29],"inhibiting":[31],"tumor":[32],"growth.":[33],"These":[34],"functions":[35],"carried":[37],"out":[38],"by":[39],"FA":[40,64],"binding":[41,65,91,105,168],"proteins":[42,92],"(FABPs)":[43],"that":[44],"recognize":[45],"transport":[47,185],"FAs.":[48],"Although":[49],"crystal":[51],"structure":[52],"FA-FABPs":[55],"complex":[56],"has":[57],"long":[58],"been":[59],"characterized,":[60],"mechanism":[62,169,186],"behind":[63],"dissociation":[67,107,122],"from":[68],"FABP":[69,134],"remains":[70],"unclear.":[71],"This":[72,160],"study":[73,161],"employed":[74],"conventional":[75],"MD":[76],"simulations":[77],"enhanced":[79],"sampling":[80],"technologies":[81],"to":[82,141,176],"investigate":[83],"atomic-scale":[85],"complexes":[86],"heart":[88],"fatty":[89],"acid":[90,95],"stearic":[94],"(SA).":[96],"The":[97],"results":[98],"revealed":[99],"two":[100],"primary":[101],"pathways":[102],"or":[106,150],"flexible":[110],"long-chain":[111],"ligand,":[112],"with":[113,172],"orientation":[115],"SA":[118,171],"carboxyl":[119],"head":[120],"during":[121,135],"determining":[123],"chosen":[125],"path.":[126],"Conformational":[127],"changes":[128],"portal":[131],"region":[132],"ligand":[137],"binding/unbinding":[138],"were":[139],"found":[140],"be":[142],"trivial,":[143],"overturn":[146],"\u2033cap\u2033":[149],"unfolding":[152],"\u03b12":[155],"helix":[156],"was":[157],"not":[158],"required.":[159],"resolves":[162],"long-standing":[164],"debate":[165],"on":[166],"long-flexible":[174],"tail":[175],"FABP,":[177],"which":[178],"significantly":[179],"improves":[180],"understanding":[182],"FABPs":[188],"development":[191],"related":[193],"therapeutic":[194],"agents.":[195]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1}],"updated_date":"2026-05-27T09:02:27.158192","created_date":"2025-10-10T00:00:00"}
