{"id":"https://openalex.org/W2918767497","doi":"https://doi.org/10.1007/s10822-019-00194-z","title":"Significantly different effects of tetrahydroberberrubine enantiomers on dopamine D1/D2 receptors revealed by experimental study and integrated in silico simulation","display_name":"Significantly different effects of tetrahydroberberrubine enantiomers on dopamine D1/D2 receptors revealed by experimental study and integrated in silico simulation","publication_year":2019,"publication_date":"2019-03-06","ids":{"openalex":"https://openalex.org/W2918767497","doi":"https://doi.org/10.1007/s10822-019-00194-z","mag":"2918767497","pmid":"https://pubmed.ncbi.nlm.nih.gov/30840169"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-019-00194-z","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-019-00194-z","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/A5103033994","display_name":"Haixia Ge","orcid":"https://orcid.org/0000-0003-3087-457X"},"institutions":[{"id":"https://openalex.org/I3018263800","display_name":"Huzhou University","ror":"https://ror.org/04mvpxy20","country_code":"CN","type":"education","lineage":["https://openalex.org/I3018263800"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Haixia Ge","raw_affiliation_strings":["School of Life Sciences, Huzhou University, Huzhou, 313000, China. gehaixia@zjhu.edu.cn","School of Life Sciences, Huzhou University, Huzhou, 313000, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Life Sciences, Huzhou University, Huzhou, 313000, China. gehaixia@zjhu.edu.cn","institution_ids":[]},{"raw_affiliation_string":"School of Life Sciences, Huzhou University, Huzhou, 313000, China","institution_ids":["https://openalex.org/I3018263800"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052877430","display_name":"Yuemin Bian","orcid":"https://orcid.org/0000-0002-5845-772X"},"institutions":[{"id":"https://openalex.org/I1327069482","display_name":"National Institute on Drug Abuse","ror":"https://ror.org/00fq5cm18","country_code":"US","type":"facility","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I1327069482"]},{"id":"https://openalex.org/I170201317","display_name":"University of Pittsburgh","ror":"https://ror.org/01an3r305","country_code":"US","type":"education","lineage":["https://openalex.org/I170201317"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yuemin Bian","raw_affiliation_strings":["Department of Computational Biology and Structural Biology, School of Medicine, University of Pittsburgh, Pittsburgh, PA, 15261, USA","Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA","NIDA National Center of Excellence for Computational Drug Abuse Research, Drug Discovery Institute, University of Pittsburgh, Pittsburgh, PA, 15261, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computational Biology and Structural Biology, School of Medicine, University of Pittsburgh, Pittsburgh, PA, 15261, USA","institution_ids":["https://openalex.org/I170201317"]},{"raw_affiliation_string":"Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA","institution_ids":["https://openalex.org/I170201317"]},{"raw_affiliation_string":"NIDA National Center of Excellence for Computational Drug Abuse Research, Drug Discovery Institute, University of Pittsburgh, Pittsburgh, PA, 15261, USA","institution_ids":["https://openalex.org/I1327069482"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014231261","display_name":"Xibing He","orcid":"https://orcid.org/0000-0001-7431-7893"},"institutions":[{"id":"https://openalex.org/I170201317","display_name":"University of Pittsburgh","ror":"https://ror.org/01an3r305","country_code":"US","type":"education","lineage":["https://openalex.org/I170201317"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Xibing He","raw_affiliation_strings":["Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA","institution_ids":["https://openalex.org/I170201317"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028011485","display_name":"Xiang\u2010Qun Xie","orcid":"https://orcid.org/0000-0002-6881-6175"},"institutions":[{"id":"https://openalex.org/I170201317","display_name":"University of Pittsburgh","ror":"https://ror.org/01an3r305","country_code":"US","type":"education","lineage":["https://openalex.org/I170201317"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Xiang-Qun Xie","raw_affiliation_strings":["Department of Computational Biology and Structural Biology, School of Medicine, University of Pittsburgh, Pittsburgh, PA, 15261, USA. xix15@pitt.edu","Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA. xix15@pitt.edu","NIDA National Center of Excellence for Computational Drug Abuse Research, Drug Discovery Institute, University of Pittsburgh, Pittsburgh, PA, 15261, USA. xix15@pitt.edu","Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computational Biology and Structural Biology, School of Medicine, University of Pittsburgh, Pittsburgh, PA, 15261, USA. xix15@pitt.edu","institution_ids":[]},{"raw_affiliation_string":"Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA. xix15@pitt.edu","institution_ids":[]},{"raw_affiliation_string":"NIDA National Center of Excellence for Computational Drug Abuse Research, Drug Discovery Institute, University of Pittsburgh, Pittsburgh, PA, 15261, USA. xix15@pitt.edu","institution_ids":[]},{"raw_affiliation_string":"Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA","institution_ids":["https://openalex.org/I170201317"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100643054","display_name":"Junmei Wang","orcid":"https://orcid.org/0000-0002-9607-8229"},"institutions":[{"id":"https://openalex.org/I170201317","display_name":"University of Pittsburgh","ror":"https://ror.org/01an3r305","country_code":"US","type":"education","lineage":["https://openalex.org/I170201317"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Junmei Wang","raw_affiliation_strings":["Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA. junmei.wang@pitt.edu","Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA. junmei.wang@pitt.edu","institution_ids":[]},{"raw_affiliation_string":"Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA","institution_ids":["https://openalex.org/I170201317"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5103033994"],"corresponding_institution_ids":["https://openalex.org/I3018263800"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":0.2577,"has_fulltext":false,"cited_by_count":8,"citation_normalized_percentile":{"value":0.553548,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"33","issue":"4","first_page":"447","last_page":"459"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9983999729156494,"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":0.9983999729156494,"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/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9815999865531921,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13047","display_name":"Pharmacological Receptor Mechanisms and Effects","score":0.9812999963760376,"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/receptor","display_name":"Receptor","score":0.6822864413261414},{"id":"https://openalex.org/keywords/dopamine-receptor-d2","display_name":"Dopamine receptor D2","score":0.6575846076011658},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.6151851415634155},{"id":"https://openalex.org/keywords/enantiomer","display_name":"Enantiomer","score":0.5752270817756653},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.5441485643386841},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5046898126602173},{"id":"https://openalex.org/keywords/dopamine","display_name":"Dopamine","score":0.4918246269226074},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.32050782442092896},{"id":"https://openalex.org/keywords/neuroscience","display_name":"Neuroscience","score":0.21892398595809937},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.21668320894241333},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.1546054482460022},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.08378437161445618}],"concepts":[{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.6822864413261414},{"id":"https://openalex.org/C44208683","wikidata":"https://www.wikidata.org/wiki/Q15335165","display_name":"Dopamine receptor D2","level":3,"score":0.6575846076011658},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.6151851415634155},{"id":"https://openalex.org/C486523","wikidata":"https://www.wikidata.org/wiki/Q494483","display_name":"Enantiomer","level":2,"score":0.5752270817756653},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5441485643386841},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5046898126602173},{"id":"https://openalex.org/C513476851","wikidata":"https://www.wikidata.org/wiki/Q170304","display_name":"Dopamine","level":2,"score":0.4918246269226074},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.32050782442092896},{"id":"https://openalex.org/C169760540","wikidata":"https://www.wikidata.org/wiki/Q207011","display_name":"Neuroscience","level":1,"score":0.21892398595809937},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.21668320894241333},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.1546054482460022},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.08378437161445618},{"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}],"mesh":[{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000928","descriptor_name":"Antidepressive Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000928","descriptor_name":"Antidepressive Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000928","descriptor_name":"Antidepressive Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001599","descriptor_name":"Berberine","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":false},{"descriptor_ui":"D001599","descriptor_name":"Berberine","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":false},{"descriptor_ui":"D001599","descriptor_name":"Berberine","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":false},{"descriptor_ui":"D001599","descriptor_name":"Berberine","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001599","descriptor_name":"Berberine","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001599","descriptor_name":"Berberine","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001599","descriptor_name":"Berberine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001599","descriptor_name":"Berberine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001599","descriptor_name":"Berberine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003412","descriptor_name":"Cricetulus","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003412","descriptor_name":"Cricetulus","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003412","descriptor_name":"Cricetulus","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":"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":"D013237","descriptor_name":"Stereoisomerism","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013237","descriptor_name":"Stereoisomerism","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013237","descriptor_name":"Stereoisomerism","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014151","descriptor_name":"Anti-Anxiety Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D014151","descriptor_name":"Anti-Anxiety Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D014151","descriptor_name":"Anti-Anxiety Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016466","descriptor_name":"CHO Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016466","descriptor_name":"CHO Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016466","descriptor_name":"CHO Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017447","descriptor_name":"Receptors, Dopamine D1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D017447","descriptor_name":"Receptors, Dopamine D1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D017447","descriptor_name":"Receptors, Dopamine D1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D017447","descriptor_name":"Receptors, Dopamine D1","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017447","descriptor_name":"Receptors, Dopamine D1","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017447","descriptor_name":"Receptors, Dopamine D1","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017448","descriptor_name":"Receptors, Dopamine D2","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017448","descriptor_name":"Receptors, Dopamine D2","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017448","descriptor_name":"Receptors, Dopamine D2","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"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":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D065127","descriptor_name":"Dopamine D2 Receptor Antagonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D065127","descriptor_name":"Dopamine D2 Receptor Antagonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D065127","descriptor_name":"Dopamine D2 Receptor Antagonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1007/s10822-019-00194-z","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-019-00194-z","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:30840169","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30840169","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},{"id":"pmh:oai:europepmc.org:5735544","is_oa":false,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/6768063","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.6200000047683716,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"awards":[{"id":"https://openalex.org/G2670672049","display_name":null,"funder_award_id":"21302052","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5612721449","display_name":null,"funder_award_id":"R21-GM097617","funder_id":"https://openalex.org/F4320306080","funder_display_name":"Foundation for the National Institutes of Health"},{"id":"https://openalex.org/G5899398265","display_name":null,"funder_award_id":"R01-GM079383","funder_id":"https://openalex.org/F4320306080","funder_display_name":"Foundation for the National Institutes of Health"},{"id":"https://openalex.org/G7998530357","display_name":null,"funder_award_id":"P30-DA035778A1","funder_id":"https://openalex.org/F4320306080","funder_display_name":"Foundation for the National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320306080","display_name":"Foundation for the National Institutes of Health","ror":"https://ror.org/00k86s890"},{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320333934","display_name":"Center for Research Computing, University of Pittsburgh","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":66,"referenced_works":["https://openalex.org/W95014119","https://openalex.org/W1135792216","https://openalex.org/W1595347157","https://openalex.org/W1607931568","https://openalex.org/W1970580270","https://openalex.org/W1975875968","https://openalex.org/W1976161355","https://openalex.org/W1976499671","https://openalex.org/W1978330227","https://openalex.org/W1985588649","https://openalex.org/W1986191025","https://openalex.org/W1998155988","https://openalex.org/W1999613945","https://openalex.org/W2000701551","https://openalex.org/W2004822259","https://openalex.org/W2009423060","https://openalex.org/W2015038719","https://openalex.org/W2015688756","https://openalex.org/W2021520922","https://openalex.org/W2031168104","https://openalex.org/W2035687084","https://openalex.org/W2037535298","https://openalex.org/W2047567287","https://openalex.org/W2049902088","https://openalex.org/W2057664120","https://openalex.org/W2067174909","https://openalex.org/W2067964678","https://openalex.org/W2072683434","https://openalex.org/W2073110681","https://openalex.org/W2074986801","https://openalex.org/W2078672024","https://openalex.org/W2078875450","https://openalex.org/W2097744565","https://openalex.org/W2102377211","https://openalex.org/W2106140689","https://openalex.org/W2109254532","https://openalex.org/W2115041445","https://openalex.org/W2115318272","https://openalex.org/W2129340435","https://openalex.org/W2130479394","https://openalex.org/W2142868265","https://openalex.org/W2147993766","https://openalex.org/W2154139219","https://openalex.org/W2168269595","https://openalex.org/W2176516200","https://openalex.org/W2222589778","https://openalex.org/W2311078281","https://openalex.org/W2313116527","https://openalex.org/W2323104785","https://openalex.org/W2391847522","https://openalex.org/W2404280981","https://openalex.org/W2418785513","https://openalex.org/W2485191060","https://openalex.org/W2578961303","https://openalex.org/W2612022192","https://openalex.org/W2619904744","https://openalex.org/W2729726531","https://openalex.org/W2765153686","https://openalex.org/W2785023044","https://openalex.org/W2889810589","https://openalex.org/W2903943503","https://openalex.org/W4210702584","https://openalex.org/W4211156111","https://openalex.org/W4211196614","https://openalex.org/W4244821183","https://openalex.org/W6923070770"],"related_works":["https://openalex.org/W2912862995","https://openalex.org/W3129816939","https://openalex.org/W2101501829","https://openalex.org/W2985427592","https://openalex.org/W2003194288","https://openalex.org/W2060263731","https://openalex.org/W391093122","https://openalex.org/W1521239975","https://openalex.org/W1973248478","https://openalex.org/W2074818354"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2019,"cited_by_count":1}],"updated_date":"2026-04-28T14:05:53.105641","created_date":"2025-10-10T00:00:00"}
