{"id":"https://openalex.org/W2915304426","doi":"https://doi.org/10.1021/acs.jcim.8b00924","title":"Mechanisms Underlying Allosteric Molecular Switches of Metabotropic Glutamate Receptor 5","display_name":"Mechanisms Underlying Allosteric Molecular Switches of Metabotropic Glutamate Receptor 5","publication_year":2019,"publication_date":"2019-02-27","ids":{"openalex":"https://openalex.org/W2915304426","doi":"https://doi.org/10.1021/acs.jcim.8b00924","mag":"2915304426","pmid":"https://pubmed.ncbi.nlm.nih.gov/30811196"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.8b00924","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.8b00924","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/A5059097965","display_name":"Claudia Llin\u00e1s del Torrent","orcid":"https://orcid.org/0000-0002-6772-6856"},"institutions":[{"id":"https://openalex.org/I123044942","display_name":"Universitat Aut\u00f2noma de Barcelona","ror":"https://ror.org/052g8jq94","country_code":"ES","type":"education","lineage":["https://openalex.org/I123044942"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Claudia Llinas del Torrent","raw_affiliation_strings":["Laboratori de Medicina Computacional Unitat de Bioestadistica, Facultat de Medicina, Universitat Autonoma de Barcelona, 08193 Bellaterra, Spain"],"affiliations":[{"raw_affiliation_string":"Laboratori de Medicina Computacional Unitat de Bioestadistica, Facultat de Medicina, Universitat Autonoma de Barcelona, 08193 Bellaterra, Spain","institution_ids":["https://openalex.org/I123044942"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079078264","display_name":"Nil Casajuana-Mart\u00edn","orcid":"https://orcid.org/0000-0002-9007-274X"},"institutions":[{"id":"https://openalex.org/I123044942","display_name":"Universitat Aut\u00f2noma de Barcelona","ror":"https://ror.org/052g8jq94","country_code":"ES","type":"education","lineage":["https://openalex.org/I123044942"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Nil Casajuana-Martin","raw_affiliation_strings":["Laboratori de Medicina Computacional Unitat de Bioestadistica, Facultat de Medicina, Universitat Autonoma de Barcelona, 08193 Bellaterra, Spain"],"affiliations":[{"raw_affiliation_string":"Laboratori de Medicina Computacional Unitat de Bioestadistica, Facultat de Medicina, Universitat Autonoma de Barcelona, 08193 Bellaterra, Spain","institution_ids":["https://openalex.org/I123044942"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046444163","display_name":"Leonardo Pardo","orcid":"https://orcid.org/0000-0003-1778-7420"},"institutions":[{"id":"https://openalex.org/I123044942","display_name":"Universitat Aut\u00f2noma de Barcelona","ror":"https://ror.org/052g8jq94","country_code":"ES","type":"education","lineage":["https://openalex.org/I123044942"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Leonardo Pardo","raw_affiliation_strings":["Laboratori de Medicina Computacional Unitat de Bioestadistica, Facultat de Medicina, Universitat Autonoma de Barcelona, 08193 Bellaterra, Spain"],"affiliations":[{"raw_affiliation_string":"Laboratori de Medicina Computacional Unitat de Bioestadistica, Facultat de Medicina, Universitat Autonoma de Barcelona, 08193 Bellaterra, Spain","institution_ids":["https://openalex.org/I123044942"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022201149","display_name":"Gary Tresadern","orcid":"https://orcid.org/0000-0002-4801-1644"},"institutions":[{"id":"https://openalex.org/I137982388","display_name":"Janssen (Belgium)","ror":"https://ror.org/04yzcpd71","country_code":"BE","type":"company","lineage":["https://openalex.org/I1330063522","https://openalex.org/I137982388"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Gary Tresadern","raw_affiliation_strings":["Computational Chemistry, Janssen Research & Development, Janssen Pharmaceutica N. V., Turnhoutseweg 30, B-2340 Beerse, Belgium"],"affiliations":[{"raw_affiliation_string":"Computational Chemistry, Janssen Research & Development, Janssen Pharmaceutica N. V., Turnhoutseweg 30, B-2340 Beerse, Belgium","institution_ids":["https://openalex.org/I137982388"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078699014","display_name":"Laura P\u00e9rez\u2010Benito","orcid":"https://orcid.org/0000-0001-9607-9048"},"institutions":[{"id":"https://openalex.org/I137982388","display_name":"Janssen (Belgium)","ror":"https://ror.org/04yzcpd71","country_code":"BE","type":"company","lineage":["https://openalex.org/I1330063522","https://openalex.org/I137982388"]},{"id":"https://openalex.org/I123044942","display_name":"Universitat Aut\u00f2noma de Barcelona","ror":"https://ror.org/052g8jq94","country_code":"ES","type":"education","lineage":["https://openalex.org/I123044942"]}],"countries":["BE","ES"],"is_corresponding":true,"raw_author_name":"Laura P\u00e9rez-Benito","raw_affiliation_strings":["Computational Chemistry, Janssen Research & Development, Janssen Pharmaceutica N. V., Turnhoutseweg 30, B-2340 Beerse, Belgium","Laboratori de Medicina Computacional Unitat de Bioestadistica, Facultat de Medicina, Universitat Autonoma de Barcelona, 08193 Bellaterra, Spain"],"affiliations":[{"raw_affiliation_string":"Computational Chemistry, Janssen Research & Development, Janssen Pharmaceutica N. V., Turnhoutseweg 30, B-2340 Beerse, Belgium","institution_ids":["https://openalex.org/I137982388"]},{"raw_affiliation_string":"Laboratori de Medicina Computacional Unitat de Bioestadistica, Facultat de Medicina, Universitat Autonoma de Barcelona, 08193 Bellaterra, Spain","institution_ids":["https://openalex.org/I123044942"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5078699014"],"corresponding_institution_ids":["https://openalex.org/I123044942","https://openalex.org/I137982388"],"apc_list":null,"apc_paid":null,"fwci":1.5342,"has_fulltext":false,"cited_by_count":21,"citation_normalized_percentile":{"value":0.8266428,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"59","issue":"5","first_page":"2456","last_page":"2466"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":1.0,"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":1.0,"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/T10077","display_name":"Neuroscience and Neuropharmacology Research","score":0.9988999962806702,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9966999888420105,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/allosteric-regulation","display_name":"Allosteric regulation","score":0.938223123550415},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.6943581104278564},{"id":"https://openalex.org/keywords/g-protein-coupled-receptor","display_name":"G protein-coupled receptor","score":0.6428242921829224},{"id":"https://openalex.org/keywords/metabotropic-glutamate-receptor","display_name":"Metabotropic glutamate receptor","score":0.6329391002655029},{"id":"https://openalex.org/keywords/metabotropic-glutamate-receptor-5","display_name":"Metabotropic glutamate receptor 5","score":0.5240060091018677},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5161693692207336},{"id":"https://openalex.org/keywords/context","display_name":"Context (archaeology)","score":0.5158180594444275},{"id":"https://openalex.org/keywords/metabotropic-glutamate-receptor-2","display_name":"Metabotropic glutamate receptor 2","score":0.5086560845375061},{"id":"https://openalex.org/keywords/intrinsic-activity","display_name":"Intrinsic activity","score":0.4512190520763397},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.437470018863678},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.4161933660507202},{"id":"https://openalex.org/keywords/glutamate-receptor","display_name":"Glutamate receptor","score":0.35348835587501526},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.3256933093070984},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.2938210368156433},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.262622207403183},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.10709798336029053},{"id":"https://openalex.org/keywords/agonist","display_name":"Agonist","score":0.08740341663360596}],"concepts":[{"id":"https://openalex.org/C166342909","wikidata":"https://www.wikidata.org/wiki/Q845326","display_name":"Allosteric regulation","level":3,"score":0.938223123550415},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.6943581104278564},{"id":"https://openalex.org/C135285700","wikidata":"https://www.wikidata.org/wiki/Q38173","display_name":"G protein-coupled receptor","level":3,"score":0.6428242921829224},{"id":"https://openalex.org/C49051014","wikidata":"https://www.wikidata.org/wiki/Q2033959","display_name":"Metabotropic glutamate receptor","level":4,"score":0.6329391002655029},{"id":"https://openalex.org/C41653306","wikidata":"https://www.wikidata.org/wiki/Q6589190","display_name":"Metabotropic glutamate receptor 5","level":5,"score":0.5240060091018677},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5161693692207336},{"id":"https://openalex.org/C2779343474","wikidata":"https://www.wikidata.org/wiki/Q3109175","display_name":"Context (archaeology)","level":2,"score":0.5158180594444275},{"id":"https://openalex.org/C119128870","wikidata":"https://www.wikidata.org/wiki/Q4859538","display_name":"Metabotropic glutamate receptor 2","level":5,"score":0.5086560845375061},{"id":"https://openalex.org/C38533456","wikidata":"https://www.wikidata.org/wiki/Q1671589","display_name":"Intrinsic activity","level":4,"score":0.4512190520763397},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.437470018863678},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.4161933660507202},{"id":"https://openalex.org/C61174792","wikidata":"https://www.wikidata.org/wiki/Q420510","display_name":"Glutamate receptor","level":3,"score":0.35348835587501526},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.3256933093070984},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.2938210368156433},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.262622207403183},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.10709798336029053},{"id":"https://openalex.org/C2778938600","wikidata":"https://www.wikidata.org/wiki/Q389934","display_name":"Agonist","level":3,"score":0.08740341663360596},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C151730666","wikidata":"https://www.wikidata.org/wiki/Q7205","display_name":"Paleontology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":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":"D014867","descriptor_name":"Water","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","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":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"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}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.8b00924","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.8b00924","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:30811196","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30811196","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Good health and well-being","score":0.800000011920929,"id":"https://metadata.un.org/sdg/3"}],"awards":[{"id":"https://openalex.org/G3214141589","display_name":null,"funder_award_id":"SAF2016-77830-R","funder_id":"https://openalex.org/F4320321837","funder_display_name":"Ministerio de Econom\u00eda y Competitividad"},{"id":"https://openalex.org/G7277019853","display_name":null,"funder_award_id":"675451","funder_id":"https://openalex.org/F4320332999","funder_display_name":"Horizon 2020 Framework Programme"},{"id":"https://openalex.org/G7303809246","display_name":null,"funder_award_id":"BES-2017-081872","funder_id":"https://openalex.org/F4320321837","funder_display_name":"Ministerio de Econom\u00eda y Competitividad"}],"funders":[{"id":"https://openalex.org/F4320321837","display_name":"Ministerio de Econom\u00eda y Competitividad","ror":"https://ror.org/034900433"},{"id":"https://openalex.org/F4320332999","display_name":"Horizon 2020 Framework Programme","ror":"https://ror.org/00k4n6c32"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":51,"referenced_works":["https://openalex.org/W601043646","https://openalex.org/W1031578623","https://openalex.org/W1135792216","https://openalex.org/W1504506694","https://openalex.org/W1971109580","https://openalex.org/W1976161355","https://openalex.org/W1987358117","https://openalex.org/W1989629730","https://openalex.org/W2003736358","https://openalex.org/W2008728387","https://openalex.org/W2018559917","https://openalex.org/W2019933465","https://openalex.org/W2021580832","https://openalex.org/W2023343746","https://openalex.org/W2043967644","https://openalex.org/W2055260196","https://openalex.org/W2057013716","https://openalex.org/W2058431385","https://openalex.org/W2063759211","https://openalex.org/W2074562127","https://openalex.org/W2081260116","https://openalex.org/W2091770061","https://openalex.org/W2096541451","https://openalex.org/W2100905275","https://openalex.org/W2120369903","https://openalex.org/W2120772351","https://openalex.org/W2121789908","https://openalex.org/W2126987855","https://openalex.org/W2134092694","https://openalex.org/W2136521158","https://openalex.org/W2145991947","https://openalex.org/W2161605421","https://openalex.org/W2167857702","https://openalex.org/W2170711116","https://openalex.org/W2173841464","https://openalex.org/W2248951706","https://openalex.org/W2249707640","https://openalex.org/W2271736303","https://openalex.org/W2274383865","https://openalex.org/W2346117320","https://openalex.org/W2507959744","https://openalex.org/W2511755186","https://openalex.org/W2613379785","https://openalex.org/W2689456952","https://openalex.org/W2730829886","https://openalex.org/W2755682685","https://openalex.org/W2788583047","https://openalex.org/W2793665794","https://openalex.org/W2810768392","https://openalex.org/W2911446286","https://openalex.org/W4211232835"],"related_works":["https://openalex.org/W2052331262","https://openalex.org/W2152027982","https://openalex.org/W2157405529","https://openalex.org/W2109095936","https://openalex.org/W2174928513","https://openalex.org/W2886365602","https://openalex.org/W2486940235","https://openalex.org/W82560567","https://openalex.org/W2130872919","https://openalex.org/W1500541392"],"abstract_inverted_index":{"The":[0,109,137],"metabotropic":[1],"glutamate":[2],"5":[3],"(mGlu<sub>5</sub>)":[4],"receptor":[5,12,135],"is":[6,15],"a":[7,23,81],"class":[8,176],"C":[9,177],"G":[10],"protein-coupled":[11],"(GPCR)":[13],"that":[14,127],"implicated":[16],"in":[17,41,48,53,80,152,194],"several":[18],"CNS":[19],"disorders":[20],"making":[21],"it":[22,167],"popular":[24],"drug":[25,82,161,195],"discovery":[26,83,162],"target.":[27],"Years":[28],"of":[29,72,104,115,175,187],"research":[30],"have":[31],"revealed":[32],"allosteric":[33,55,60,179],"mGlu<sub>5</sub>":[34],"ligands":[35],"showing":[36],"an":[37,140],"unexpected":[38],"complete":[39],"switch":[40],"functional":[42,153,192],"activity":[43,193],"despite":[44],"only":[45],"small":[46,145],"changes":[47,147],"their":[49],"chemical":[50],"structure,":[51],"resulting":[52],"positive":[54],"modulators":[56,61],"(PAM)":[57],"or":[58,129],"negative":[59],"(NAM)":[62],"for":[63,101,142,199],"the":[64,70,113,173,182,185],"same":[65],"scaffold.":[66],"Up":[67],"to":[68,149,190],"now,":[69],"origins":[71],"this":[73,86,156],"effect":[74],"are":[75],"not":[76],"understood,":[77],"causing":[78],"difficulties":[79],"context.":[84],"In":[85],"work,":[87],"experimental":[88],"data":[89],"was":[90],"gathered":[91],"and":[92,96,106,122],"analyzed":[93],"alongside":[94],"docking":[95],"Molecular":[97],"Dynamics":[98],"(MD)":[99],"calculations":[100],"three":[102],"sets":[103],"PAM":[105],"NAM":[107],"pairs.":[108],"results":[110],"consistently":[111],"show":[112],"role":[114],"specific":[116],"interactions":[117],"formed":[118],"between":[119],"ligand":[120],"substituents":[121],"amino":[123],"acid":[124],"side":[125],"chains":[126],"block":[128],"promote":[130],"local":[131],"movements":[132],"associated":[133],"with":[134],"activation.":[136,180],"work":[138,157],"provides":[139,169],"explanation":[141],"how":[143],"such":[144,200],"structural":[146,202],"lead":[148],"remarkable":[150],"differences":[151],"activity.":[154],"While":[155],"can":[158],"greatly":[159],"help":[160],"programs":[163],"avoid":[164],"these":[165],"switches,":[166],"also":[168],"valuable":[170],"insight":[171],"into":[172],"mechanisms":[174],"GPCR":[178],"Furthermore,":[181],"approach":[183],"shows":[184],"value":[186],"applying":[188],"MD":[189],"understand":[191],"design":[196],"programs,":[197],"even":[198],"close":[201],"analogues.":[203]},"counts_by_year":[{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":9},{"year":2019,"cited_by_count":5}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}