{"id":"https://openalex.org/W7134839251","doi":"https://doi.org/10.1007/s10822-026-00780-y","title":"Molecular mechanism of aspartame recognition by the human sweet taste receptor T1R2\u2013T1R3 revealed by homology modeling and molecular dynamics simulations","display_name":"Molecular mechanism of aspartame recognition by the human sweet taste receptor T1R2\u2013T1R3 revealed by homology modeling and molecular dynamics simulations","publication_year":2026,"publication_date":"2026-03-10","ids":{"openalex":"https://openalex.org/W7134839251","doi":"https://doi.org/10.1007/s10822-026-00780-y","pmid":"https://pubmed.ncbi.nlm.nih.gov/41803465"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-026-00780-y","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-026-00780-y","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","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/A5101887436","display_name":"Mingqiong Tong","orcid":"https://orcid.org/0000-0002-7052-1018"},"institutions":[{"id":"https://openalex.org/I4210165547","display_name":"Dezhou University","ror":"https://ror.org/05mnjs436","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210165547"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Mingqiong Tong","raw_affiliation_strings":["Shandong Engineering Research Center of Novel Pharmaceutical Excipients, Sustained and Controlled Release Preparations, College of Health and Medicine, Dezhou University, Decheng District, Dezhou, 253023, China. tongmingqiong@163.com"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shandong Engineering Research Center of Novel Pharmaceutical Excipients, Sustained and Controlled Release Preparations, College of Health and Medicine, Dezhou University, Decheng District, Dezhou, 253023, China. tongmingqiong@163.com","institution_ids":["https://openalex.org/I4210165547"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5128661319","display_name":"Shengqi Duan","orcid":null},"institutions":[{"id":"https://openalex.org/I4210165547","display_name":"Dezhou University","ror":"https://ror.org/05mnjs436","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210165547"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shengqi Duan","raw_affiliation_strings":["Shandong Engineering Research Center of Novel Pharmaceutical Excipients, Sustained and Controlled Release Preparations, College of Health and Medicine, Dezhou University, Decheng District, Dezhou, 253023, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shandong Engineering Research Center of Novel Pharmaceutical Excipients, Sustained and Controlled Release Preparations, College of Health and Medicine, Dezhou University, Decheng District, Dezhou, 253023, China","institution_ids":["https://openalex.org/I4210165547"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100349000","display_name":"Linlin Wang","orcid":"https://orcid.org/0000-0002-6999-5056"},"institutions":[{"id":"https://openalex.org/I4210165547","display_name":"Dezhou University","ror":"https://ror.org/05mnjs436","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210165547"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lanlan Wang","raw_affiliation_strings":["Shandong Engineering Research Center of Novel Pharmaceutical Excipients, Sustained and Controlled Release Preparations, College of Health and Medicine, Dezhou University, Decheng District, Dezhou, 253023, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shandong Engineering Research Center of Novel Pharmaceutical Excipients, Sustained and Controlled Release Preparations, College of Health and Medicine, Dezhou University, Decheng District, Dezhou, 253023, China","institution_ids":["https://openalex.org/I4210165547"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055717123","display_name":"Yuewen Yin","orcid":null},"institutions":[{"id":"https://openalex.org/I4210165547","display_name":"Dezhou University","ror":"https://ror.org/05mnjs436","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210165547"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yuewen Yin","raw_affiliation_strings":["Institute of Biophysics, Dezhou University, Dezhou, 253023, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Biophysics, Dezhou University, Dezhou, 253023, China","institution_ids":["https://openalex.org/I4210165547"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049835513","display_name":"Lin Chen","orcid":"https://orcid.org/0000-0002-6848-5257"},"institutions":[{"id":"https://openalex.org/I4210165547","display_name":"Dezhou University","ror":"https://ror.org/05mnjs436","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210165547"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lin Chen","raw_affiliation_strings":["Shandong Engineering Research Center of Novel Pharmaceutical Excipients, Sustained and Controlled Release Preparations, College of Health and Medicine, Dezhou University, Decheng District, Dezhou, 253023, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shandong Engineering Research Center of Novel Pharmaceutical Excipients, Sustained and Controlled Release Preparations, College of Health and Medicine, Dezhou University, Decheng District, Dezhou, 253023, China","institution_ids":["https://openalex.org/I4210165547"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Yanyan Zhao","orcid":null},"institutions":[{"id":"https://openalex.org/I4210165547","display_name":"Dezhou University","ror":"https://ror.org/05mnjs436","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210165547"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yanyan Zhao","raw_affiliation_strings":["Shandong Engineering Research Center of Novel Pharmaceutical Excipients, Sustained and Controlled Release Preparations, College of Health and Medicine, Dezhou University, Decheng District, Dezhou, 253023, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shandong Engineering Research Center of Novel Pharmaceutical Excipients, Sustained and Controlled Release Preparations, College of Health and Medicine, Dezhou University, Decheng District, Dezhou, 253023, China","institution_ids":["https://openalex.org/I4210165547"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5114037021","display_name":"Ben Liu","orcid":"https://orcid.org/0000-0002-4685-2052"},"institutions":[{"id":"https://openalex.org/I152269853","display_name":"Qilu University of Technology","ror":"https://ror.org/04hyzq608","country_code":"CN","type":"education","lineage":["https://openalex.org/I152269853"]},{"id":"https://openalex.org/I4210142748","display_name":"Shandong Academy of Sciences","ror":"https://ror.org/04y8d6y55","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210142748"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Bo Liu","raw_affiliation_strings":["Department of Food Science and Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, 250353, Shandong, China. ertrdfgg@qlu.edu.cn"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Food Science and Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, 250353, Shandong, China. ertrdfgg@qlu.edu.cn","institution_ids":["https://openalex.org/I152269853","https://openalex.org/I4210142748"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060016117","display_name":"Xiangling Gu","orcid":"https://orcid.org/0000-0002-1388-0065"},"institutions":[{"id":"https://openalex.org/I4210165547","display_name":"Dezhou University","ror":"https://ror.org/05mnjs436","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210165547"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiangling Gu","raw_affiliation_strings":["Shandong Engineering Research Center of Novel Pharmaceutical Excipients, Sustained and Controlled Release Preparations, College of Health and Medicine, Dezhou University, Decheng District, Dezhou, 253023, China. xlgu@dzu.edu.cn"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shandong Engineering Research Center of Novel Pharmaceutical Excipients, Sustained and Controlled Release Preparations, College of Health and Medicine, Dezhou University, Decheng District, Dezhou, 253023, China. xlgu@dzu.edu.cn","institution_ids":["https://openalex.org/I4210165547"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5046217910","display_name":"Zanxia Cao","orcid":"https://orcid.org/0000-0002-8259-0918"},"institutions":[{"id":"https://openalex.org/I4210165547","display_name":"Dezhou University","ror":"https://ror.org/05mnjs436","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210165547"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zanxia Cao","raw_affiliation_strings":["Institute of Biophysics, Dezhou University, Dezhou, 253023, China. qiayilai@mail.ustc.edu.cn"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Biophysics, Dezhou University, Dezhou, 253023, China. qiayilai@mail.ustc.edu.cn","institution_ids":["https://openalex.org/I4210165547"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5101887436"],"corresponding_institution_ids":["https://openalex.org/I4210165547"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":8.1993,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.95541638,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":97},"biblio":{"volume":"40","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11584","display_name":"Biochemical Analysis and Sensing Techniques","score":0.9968000054359436,"subfield":{"id":"https://openalex.org/subfields/2916","display_name":"Nutrition and Dietetics"},"field":{"id":"https://openalex.org/fields/29","display_name":"Nursing"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T11584","display_name":"Biochemical Analysis and Sensing Techniques","score":0.9968000054359436,"subfield":{"id":"https://openalex.org/subfields/2916","display_name":"Nutrition and Dietetics"},"field":{"id":"https://openalex.org/fields/29","display_name":"Nursing"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10971","display_name":"Olfactory and Sensory Function Studies","score":0.0003000000142492354,"subfield":{"id":"https://openalex.org/subfields/2809","display_name":"Sensory Systems"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11667","display_name":"Advanced Chemical Sensor Technologies","score":0.0003000000142492354,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/aspartame","display_name":"Aspartame","score":0.929099977016449},{"id":"https://openalex.org/keywords/homology-modeling","display_name":"Homology modeling","score":0.5735999941825867},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.4699999988079071},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.42480000853538513},{"id":"https://openalex.org/keywords/molecular-model","display_name":"Molecular model","score":0.415800005197525},{"id":"https://openalex.org/keywords/hydrophobic-effect","display_name":"Hydrophobic effect","score":0.3695000112056732},{"id":"https://openalex.org/keywords/sweet-taste","display_name":"Sweet taste","score":0.36500000953674316},{"id":"https://openalex.org/keywords/hydrogen-bond","display_name":"Hydrogen bond","score":0.36469998955726624},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.3416000008583069}],"concepts":[{"id":"https://openalex.org/C2778278337","wikidata":"https://www.wikidata.org/wiki/Q182040","display_name":"Aspartame","level":2,"score":0.929099977016449},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7303000092506409},{"id":"https://openalex.org/C169627665","wikidata":"https://www.wikidata.org/wiki/Q5767913","display_name":"Homology modeling","level":3,"score":0.5735999941825867},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.4699999988079071},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.42480000853538513},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.415800005197525},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.4059000015258789},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.4011000096797943},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3946000039577484},{"id":"https://openalex.org/C90260826","wikidata":"https://www.wikidata.org/wiki/Q899157","display_name":"Hydrophobic effect","level":2,"score":0.3695000112056732},{"id":"https://openalex.org/C3018655482","wikidata":"https://www.wikidata.org/wiki/Q460453","display_name":"Sweet taste","level":3,"score":0.36500000953674316},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.36469998955726624},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.3416000008583069},{"id":"https://openalex.org/C2779476700","wikidata":"https://www.wikidata.org/wiki/Q460453","display_name":"Sweetness","level":3,"score":0.3398999869823456},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.33399999141693115},{"id":"https://openalex.org/C8868529","wikidata":"https://www.wikidata.org/wiki/Q124794","display_name":"Taste","level":2,"score":0.3296000063419342},{"id":"https://openalex.org/C93282013","wikidata":"https://www.wikidata.org/wiki/Q420754","display_name":"Binding energy","level":2,"score":0.3172000050544739},{"id":"https://openalex.org/C179303850","wikidata":"https://www.wikidata.org/wiki/Q4300362","display_name":"Molecular recognition","level":3,"score":0.3109999895095825},{"id":"https://openalex.org/C25166345","wikidata":"https://www.wikidata.org/wiki/Q4914012","display_name":"Binding domain","level":3,"score":0.29120001196861267},{"id":"https://openalex.org/C143065580","wikidata":"https://www.wikidata.org/wiki/Q3285695","display_name":"Mutant","level":3,"score":0.2888999879360199},{"id":"https://openalex.org/C67407626","wikidata":"https://www.wikidata.org/wiki/Q5723218","display_name":"Amphiphile","level":4,"score":0.28139999508857727},{"id":"https://openalex.org/C165525559","wikidata":"https://www.wikidata.org/wiki/Q224180","display_name":"Homology (biology)","level":3,"score":0.2770000100135803},{"id":"https://openalex.org/C51639874","wikidata":"https://www.wikidata.org/wiki/Q167149","display_name":"Plasma protein binding","level":2,"score":0.26750001311302185},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.2599000036716461},{"id":"https://openalex.org/C88367079","wikidata":"https://www.wikidata.org/wiki/Q1292959","display_name":"Receptor potential","level":3,"score":0.2538999915122986},{"id":"https://openalex.org/C104292427","wikidata":"https://www.wikidata.org/wiki/Q899781","display_name":"Protein subunit","level":3,"score":0.2522999942302704}],"mesh":[{"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":"D001218","descriptor_name":"Aspartame","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D001218","descriptor_name":"Aspartame","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D001218","descriptor_name":"Aspartame","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D001218","descriptor_name":"Aspartame","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D001218","descriptor_name":"Aspartame","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D001218","descriptor_name":"Aspartame","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","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":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","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":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013395","descriptor_name":"Sucrose","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":false},{"descriptor_ui":"D013395","descriptor_name":"Sucrose","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":false},{"descriptor_ui":"D013395","descriptor_name":"Sucrose","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013395","descriptor_name":"Sucrose","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013549","descriptor_name":"Sweetening Agents","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D013549","descriptor_name":"Sweetening Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D013549","descriptor_name":"Sweetening Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D013549","descriptor_name":"Sweetening Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-026-00780-y","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-026-00780-y","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:41803465","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41803465","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 computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1854849295","display_name":null,"funder_award_id":"82572905","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G4336977091","display_name":null,"funder_award_id":"ZR2023QB247","funder_id":"https://openalex.org/F4320324174","funder_display_name":"Natural Science Foundation of Shandong Province"},{"id":"https://openalex.org/G6293870508","display_name":null,"funder_award_id":"22375028","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8191022908","display_name":null,"funder_award_id":"32571444","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"},{"id":"https://openalex.org/F4320324174","display_name":"Natural Science Foundation of Shandong Province","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":42,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1945680072","https://openalex.org/W1968654323","https://openalex.org/W1976499671","https://openalex.org/W1990771438","https://openalex.org/W2010081963","https://openalex.org/W2021520922","https://openalex.org/W2035266068","https://openalex.org/W2035687084","https://openalex.org/W2041343883","https://openalex.org/W2070753604","https://openalex.org/W2073115006","https://openalex.org/W2077199867","https://openalex.org/W2081693079","https://openalex.org/W2089506081","https://openalex.org/W2099666647","https://openalex.org/W2113939673","https://openalex.org/W2122060463","https://openalex.org/W2126103175","https://openalex.org/W2128572087","https://openalex.org/W2130284699","https://openalex.org/W2158606064","https://openalex.org/W2188937787","https://openalex.org/W2201150409","https://openalex.org/W2298846731","https://openalex.org/W2316465692","https://openalex.org/W2555870966","https://openalex.org/W2557684166","https://openalex.org/W2590360966","https://openalex.org/W2752686022","https://openalex.org/W3004963851","https://openalex.org/W3036443046","https://openalex.org/W3097082648","https://openalex.org/W3203726699","https://openalex.org/W3204281265","https://openalex.org/W4224300609","https://openalex.org/W4290699989","https://openalex.org/W4318263416","https://openalex.org/W4400486986","https://openalex.org/W4402948541","https://openalex.org/W4410157682","https://openalex.org/W4411582391"],"related_works":[],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":1}],"updated_date":"2026-07-13T07:31:44.756512","created_date":"2026-03-11T00:00:00"}