{"id":"https://openalex.org/W2005527185","doi":"https://doi.org/10.1021/ci400160x","title":"Estimation of Ligand Efficacies of Metabotropic Glutamate Receptors from Conformational Forces Obtained from Molecular Dynamics Simulations","display_name":"Estimation of Ligand Efficacies of Metabotropic Glutamate Receptors from Conformational Forces Obtained from Molecular Dynamics Simulations","publication_year":2013,"publication_date":"2013-05-08","ids":{"openalex":"https://openalex.org/W2005527185","doi":"https://doi.org/10.1021/ci400160x","mag":"2005527185","pmid":"https://pubmed.ncbi.nlm.nih.gov/23688150"},"language":"en","primary_location":{"id":"doi:10.1021/ci400160x","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci400160x","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":true,"oa_status":"green","oa_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3693859","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5033771816","display_name":"Sirish Kaushik Lakkaraju","orcid":"https://orcid.org/0000-0003-1553-5780"},"institutions":[{"id":"https://openalex.org/I126744593","display_name":"University of Maryland, Baltimore","ror":"https://ror.org/04rq5mt64","country_code":"US","type":"education","lineage":["https://openalex.org/I126744593"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Sirish Kaushik Lakkaraju","raw_affiliation_strings":["Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 Penn St, Baltimore, Maryland 21201, United States"],"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 Penn St, Baltimore, Maryland 21201, United States","institution_ids":["https://openalex.org/I126744593"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071398691","display_name":"Fengtian Xue","orcid":"https://orcid.org/0000-0002-4132-9887"},"institutions":[{"id":"https://openalex.org/I66946132","display_name":"University of Maryland, College Park","ror":"https://ror.org/047s2c258","country_code":"US","type":"education","lineage":["https://openalex.org/I66946132"]},{"id":"https://openalex.org/I126744593","display_name":"University of Maryland, Baltimore","ror":"https://ror.org/04rq5mt64","country_code":"US","type":"education","lineage":["https://openalex.org/I126744593"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Fengtian Xue","raw_affiliation_strings":["Department of Anesthesiology, School of Medicine, University of Maryland, 20 Penn St, Baltimore, Maryland 21201, United States","Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 Penn St, Baltimore, Maryland 21201, United States","Department of Pharmaceutical#R#Sciences, School of Pharmacy, University of Maryland, 20 Penn St,#R#Baltimore, Maryland 21201, United States"],"affiliations":[{"raw_affiliation_string":"Department of Anesthesiology, School of Medicine, University of Maryland, 20 Penn St, Baltimore, Maryland 21201, United States","institution_ids":["https://openalex.org/I126744593"]},{"raw_affiliation_string":"Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 Penn St, Baltimore, Maryland 21201, United States","institution_ids":["https://openalex.org/I126744593"]},{"raw_affiliation_string":"Department of Pharmaceutical#R#Sciences, School of Pharmacy, University of Maryland, 20 Penn St,#R#Baltimore, Maryland 21201, United States","institution_ids":["https://openalex.org/I126744593","https://openalex.org/I66946132"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011395603","display_name":"Alan I. Faden","orcid":"https://orcid.org/0000-0003-0128-2348"},"institutions":[{"id":"https://openalex.org/I126744593","display_name":"University of Maryland, Baltimore","ror":"https://ror.org/04rq5mt64","country_code":"US","type":"education","lineage":["https://openalex.org/I126744593"]},{"id":"https://openalex.org/I66946132","display_name":"University of Maryland, College Park","ror":"https://ror.org/047s2c258","country_code":"US","type":"education","lineage":["https://openalex.org/I66946132"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Alan I. Faden","raw_affiliation_strings":["Department of Anesthesiology, School of Medicine, University of Maryland, 20 Penn St, Baltimore, Maryland 21201, United States","Department of Anesthesiology,#R#School of Medicine, University of Maryland, 20 Penn St, Baltimore,#R#Maryland 21201, United States"],"affiliations":[{"raw_affiliation_string":"Department of Anesthesiology, School of Medicine, University of Maryland, 20 Penn St, Baltimore, Maryland 21201, United States","institution_ids":["https://openalex.org/I126744593"]},{"raw_affiliation_string":"Department of Anesthesiology,#R#School of Medicine, University of Maryland, 20 Penn St, Baltimore,#R#Maryland 21201, United States","institution_ids":["https://openalex.org/I126744593","https://openalex.org/I66946132"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5056944006","display_name":"Alexander D. MacKerell","orcid":"https://orcid.org/0000-0001-8287-6804"},"institutions":[{"id":"https://openalex.org/I126744593","display_name":"University of Maryland, Baltimore","ror":"https://ror.org/04rq5mt64","country_code":"US","type":"education","lineage":["https://openalex.org/I126744593"]},{"id":"https://openalex.org/I66946132","display_name":"University of Maryland, College Park","ror":"https://ror.org/047s2c258","country_code":"US","type":"education","lineage":["https://openalex.org/I66946132"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Alexander D. MacKerell","raw_affiliation_strings":["Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 Penn St, Baltimore, Maryland 21201, United States","Department of Pharmaceutical#R#Sciences, School of Pharmacy, University of Maryland, 20 Penn St,#R#Baltimore, Maryland 21201, United States"],"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 Penn St, Baltimore, Maryland 21201, United States","institution_ids":["https://openalex.org/I126744593"]},{"raw_affiliation_string":"Department of Pharmaceutical#R#Sciences, School of Pharmacy, University of Maryland, 20 Penn St,#R#Baltimore, Maryland 21201, United States","institution_ids":["https://openalex.org/I126744593","https://openalex.org/I66946132"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5033771816"],"corresponding_institution_ids":["https://openalex.org/I126744593"],"apc_list":null,"apc_paid":null,"fwci":0.423,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.5784914,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":96},"biblio":{"volume":"53","issue":"6","first_page":"1337","last_page":"1349"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10077","display_name":"Neuroscience and Neuropharmacology Research","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/2804","display_name":"Cellular and Molecular Neuroscience"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10077","display_name":"Neuroscience and Neuropharmacology Research","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/2804","display_name":"Cellular and Molecular Neuroscience"},"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/T11708","display_name":"Photochromic and Fluorescence Chemistry","score":0.9993000030517578,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9979000091552734,"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/metabotropic-receptor","display_name":"Metabotropic receptor","score":0.6333765983581543},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.6177099347114563},{"id":"https://openalex.org/keywords/metabotropic-glutamate-receptor","display_name":"Metabotropic glutamate receptor","score":0.5761386156082153},{"id":"https://openalex.org/keywords/metabotropic-glutamate-receptor-1","display_name":"Metabotropic glutamate receptor 1","score":0.5173484683036804},{"id":"https://openalex.org/keywords/metabotropic-glutamate-receptor-5","display_name":"Metabotropic glutamate receptor 5","score":0.44391846656799316},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4422633945941925},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.43304958939552307},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.36993128061294556},{"id":"https://openalex.org/keywords/glutamate-receptor","display_name":"Glutamate receptor","score":0.35760366916656494},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.25187405943870544},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.23147782683372498},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.19175252318382263}],"concepts":[{"id":"https://openalex.org/C26702167","wikidata":"https://www.wikidata.org/wiki/Q901988","display_name":"Metabotropic receptor","level":4,"score":0.6333765983581543},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6177099347114563},{"id":"https://openalex.org/C49051014","wikidata":"https://www.wikidata.org/wiki/Q2033959","display_name":"Metabotropic glutamate receptor","level":4,"score":0.5761386156082153},{"id":"https://openalex.org/C207951395","wikidata":"https://www.wikidata.org/wiki/Q288431","display_name":"Metabotropic glutamate receptor 1","level":5,"score":0.5173484683036804},{"id":"https://openalex.org/C41653306","wikidata":"https://www.wikidata.org/wiki/Q6589190","display_name":"Metabotropic glutamate receptor 5","level":5,"score":0.44391846656799316},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4422633945941925},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.43304958939552307},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.36993128061294556},{"id":"https://openalex.org/C61174792","wikidata":"https://www.wikidata.org/wiki/Q420510","display_name":"Glutamate receptor","level":3,"score":0.35760366916656494},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.25187405943870544},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.23147782683372498},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.19175252318382263}],"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":"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":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D018094","descriptor_name":"Receptors, Metabotropic Glutamate","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D018094","descriptor_name":"Receptors, Metabotropic Glutamate","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D018094","descriptor_name":"Receptors, Metabotropic Glutamate","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D018094","descriptor_name":"Receptors, Metabotropic Glutamate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018094","descriptor_name":"Receptors, Metabotropic Glutamate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018094","descriptor_name":"Receptors, Metabotropic Glutamate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018094","descriptor_name":"Receptors, Metabotropic Glutamate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018094","descriptor_name":"Receptors, Metabotropic Glutamate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018094","descriptor_name":"Receptors, Metabotropic Glutamate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018094","descriptor_name":"Receptors, Metabotropic Glutamate","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D018094","descriptor_name":"Receptors, Metabotropic Glutamate","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D018094","descriptor_name":"Receptors, Metabotropic Glutamate","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D051381","descriptor_name":"Rats","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051381","descriptor_name":"Rats","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051381","descriptor_name":"Rats","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":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D064529","descriptor_name":"Receptor, Metabotropic Glutamate 5","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D064529","descriptor_name":"Receptor, Metabotropic Glutamate 5","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D064529","descriptor_name":"Receptor, Metabotropic Glutamate 5","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D064529","descriptor_name":"Receptor, Metabotropic Glutamate 5","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D064529","descriptor_name":"Receptor, Metabotropic Glutamate 5","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D064529","descriptor_name":"Receptor, Metabotropic Glutamate 5","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D064529","descriptor_name":"Receptor, Metabotropic Glutamate 5","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D064529","descriptor_name":"Receptor, Metabotropic Glutamate 5","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D064529","descriptor_name":"Receptor, Metabotropic Glutamate 5","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D064529","descriptor_name":"Receptor, Metabotropic Glutamate 5","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D064529","descriptor_name":"Receptor, Metabotropic Glutamate 5","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D064529","descriptor_name":"Receptor, Metabotropic Glutamate 5","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/ci400160x","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci400160x","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:23688150","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23688150","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},{"id":"pmh:oai:pubmedcentral.nih.gov:3693859","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3693859","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"pmh:oai:pubmedcentral.nih.gov:3693859","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3693859","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":63,"referenced_works":["https://openalex.org/W1505409727","https://openalex.org/W1509785349","https://openalex.org/W1571518787","https://openalex.org/W1945680072","https://openalex.org/W1969059134","https://openalex.org/W1970161521","https://openalex.org/W1972183007","https://openalex.org/W1972302346","https://openalex.org/W1973727540","https://openalex.org/W1975945758","https://openalex.org/W1980292953","https://openalex.org/W1980374511","https://openalex.org/W1983449280","https://openalex.org/W1987163644","https://openalex.org/W1987818452","https://openalex.org/W1991794210","https://openalex.org/W1997772366","https://openalex.org/W1999587914","https://openalex.org/W1999613945","https://openalex.org/W1999817051","https://openalex.org/W2000213829","https://openalex.org/W2003734403","https://openalex.org/W2005679019","https://openalex.org/W2008104841","https://openalex.org/W2011461371","https://openalex.org/W2013432476","https://openalex.org/W2016867645","https://openalex.org/W2017798028","https://openalex.org/W2021520922","https://openalex.org/W2025460833","https://openalex.org/W2027408247","https://openalex.org/W2037297700","https://openalex.org/W2038758364","https://openalex.org/W2040491794","https://openalex.org/W2041638382","https://openalex.org/W2043388992","https://openalex.org/W2045023470","https://openalex.org/W2047668538","https://openalex.org/W2047702346","https://openalex.org/W2050333027","https://openalex.org/W2052935274","https://openalex.org/W2053544252","https://openalex.org/W2058591676","https://openalex.org/W2058623213","https://openalex.org/W2060433756","https://openalex.org/W2066168019","https://openalex.org/W2067174909","https://openalex.org/W2070372666","https://openalex.org/W2070753604","https://openalex.org/W2078897114","https://openalex.org/W2081693079","https://openalex.org/W2087916050","https://openalex.org/W2106015925","https://openalex.org/W2106042714","https://openalex.org/W2106140689","https://openalex.org/W2111102537","https://openalex.org/W2123768693","https://openalex.org/W2132262459","https://openalex.org/W2146462263","https://openalex.org/W2150981663","https://openalex.org/W2167938143","https://openalex.org/W2951764089","https://openalex.org/W4290802914"],"related_works":["https://openalex.org/W2061602972","https://openalex.org/W2039403255","https://openalex.org/W3203478489","https://openalex.org/W2040563577","https://openalex.org/W2769694404","https://openalex.org/W2151143028","https://openalex.org/W2052733131","https://openalex.org/W2357841647","https://openalex.org/W153844251","https://openalex.org/W2415755816"],"abstract_inverted_index":{"Group":[0],"1":[1],"metabotropic":[2],"glutamate":[3],"receptors":[4,9],"(mGluR)":[5],"are":[6],"G-protein":[7],"coupled":[8],"with":[10,37,68],"a":[11,21,33,82,132],"large":[12],"bilobate":[13],"extracellular":[14],"ligand":[15,34],"binding":[16],"region":[17],"(LBR)":[18],"that":[19,123],"resembles":[20],"Venus":[22],"fly":[23],"trap.":[24],"Closing":[25],"of":[26,32,40,46,75,104,117,131,135,141,158],"this":[27],"LBR":[28,70],"in":[29,72,101],"the":[30,38,41,47,58,63,69,73,86,91,96,102,105,108,115,118,129,136,139,155],"presence":[31,74],"is":[35],"associated":[36,67],"activation":[39],"receptor.":[42],"From":[43],"conformational":[44,59,92,109],"sampling":[45],"LBR-ligand":[48],"complexes":[49],"using":[50],"all-atom":[51],"molecular":[52],"dynamics":[53],"(MD)":[54],"simulations,":[55],"we":[56,88],"characterized":[57],"minima":[60,106],"related":[61],"to":[62,113,150],"hinge":[64],"like":[65],"motion":[66],"closing/opening":[71],"known":[76],"agonists":[77,160],"and":[78,107,147,161],"antagonists.":[79,162],"By":[80],"applying":[81],"harmonic":[83],"restraint":[84],"on":[85],"LBR,":[87],"also":[89],"determined":[90],"forces":[93,110,130],"generated":[94],"by":[95],"different":[97],"ligands.":[98,119],"The":[99],"change":[100],"location":[103],"were":[111],"used":[112],"quantify":[114,151],"efficacies":[116,124],"This":[120],"analysis":[121],"shows":[122],"can":[125],"be":[126],"estimated":[127],"from":[128],"single":[133],"conformation":[134],"receptor,":[137],"indicating":[138],"potential":[140],"MD":[142],"simulations":[143],"as":[144],"an":[145],"efficient":[146],"useful":[148],"technique":[149],"efficacies,":[152],"thereby":[153],"facilitating":[154],"rational":[156],"design":[157],"mGluR":[159]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":1}],"updated_date":"2026-04-21T08:09:41.155169","created_date":"2025-10-10T00:00:00"}
