{"id":"https://openalex.org/W4307504013","doi":"https://doi.org/10.1021/acs.jcim.2c00865","title":"A Single Point Mutation Blocks the Entrance of Ligands to the Cannabinoid CB<sub>2</sub> Receptor via the Lipid Bilayer","display_name":"A Single Point Mutation Blocks the Entrance of Ligands to the Cannabinoid CB<sub>2</sub> Receptor via the Lipid Bilayer","publication_year":2022,"publication_date":"2022-10-27","ids":{"openalex":"https://openalex.org/W4307504013","doi":"https://doi.org/10.1021/acs.jcim.2c00865","mag":"36302505"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.2c00865","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c00865","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00865","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","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"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00865","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","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":["Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Aut\u00f2noma Barcelona, 08193 Bellaterra, Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Aut\u00f2noma Barcelona, 08193 Bellaterra, Barcelona, Spain","institution_ids":["https://openalex.org/I123044942"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014576744","display_name":"Gemma Navarro","orcid":"https://orcid.org/0000-0003-4654-0873"},"institutions":[{"id":"https://openalex.org/I4210086696","display_name":"Biomedical Research Networking Center on Neurodegenerative Diseases","ror":"https://ror.org/00zca7903","country_code":"ES","type":"facility","lineage":["https://openalex.org/I4210086696"]},{"id":"https://openalex.org/I2801357902","display_name":"Instituto de Salud Carlos III","ror":"https://ror.org/00ca2c886","country_code":"ES","type":"funder","lineage":["https://openalex.org/I2801357902","https://openalex.org/I4387152914"]},{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Gemma Navarro","raw_affiliation_strings":["Centro de Investigaci\u00f3n en Red, Enfermedades Neurodegenerativas (CIBERNED), Instituto de Salud Carlos III, 28031 Madrid, Spain","Department of Biochemistry and Physiology, Faculty of Pharmacy and Food Sciences, Universitat de Barcelona, 08028 Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Centro de Investigaci\u00f3n en Red, Enfermedades Neurodegenerativas (CIBERNED), Instituto de Salud Carlos III, 28031 Madrid, Spain","institution_ids":["https://openalex.org/I4210086696","https://openalex.org/I2801357902"]},{"raw_affiliation_string":"Department of Biochemistry and Physiology, Faculty of Pharmacy and Food Sciences, Universitat de Barcelona, 08028 Barcelona, Spain","institution_ids":["https://openalex.org/I71999127"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058251799","display_name":"\u00c1ngel Gonz\u00e1lez","orcid":"https://orcid.org/0000-0002-2284-8307"},"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":"Angel Gonzalez","raw_affiliation_strings":["Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Aut\u00f2noma Barcelona, 08193 Bellaterra, Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Aut\u00f2noma Barcelona, 08193 Bellaterra, Barcelona, Spain","institution_ids":["https://openalex.org/I123044942"]}]},{"author_position":"middle","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":["Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Aut\u00f2noma Barcelona, 08193 Bellaterra, Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Aut\u00f2noma Barcelona, 08193 Bellaterra, Barcelona, Spain","institution_ids":["https://openalex.org/I123044942"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069161640","display_name":"Marc G\u00f3mez\u2010Autet","orcid":"https://orcid.org/0000-0002-6133-988X"},"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":"Marc G\u00f3mez-Autet","raw_affiliation_strings":["Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Aut\u00f2noma Barcelona, 08193 Bellaterra, Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Aut\u00f2noma Barcelona, 08193 Bellaterra, Barcelona, Spain","institution_ids":["https://openalex.org/I123044942"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089832164","display_name":"Aleix Quintana Garc\u00eda","orcid":"https://orcid.org/0000-0003-4472-5129"},"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":"Aleix Quintana Garc\u00eda","raw_affiliation_strings":["Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Aut\u00f2noma Barcelona, 08193 Bellaterra, Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Aut\u00f2noma Barcelona, 08193 Bellaterra, Barcelona, Spain","institution_ids":["https://openalex.org/I123044942"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5043879414","display_name":"Rafael Franco","orcid":"https://orcid.org/0000-0003-2549-4919"},"institutions":[{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]},{"id":"https://openalex.org/I4210086696","display_name":"Biomedical Research Networking Center on Neurodegenerative Diseases","ror":"https://ror.org/00zca7903","country_code":"ES","type":"facility","lineage":["https://openalex.org/I4210086696"]},{"id":"https://openalex.org/I2801357902","display_name":"Instituto de Salud Carlos III","ror":"https://ror.org/00ca2c886","country_code":"ES","type":"funder","lineage":["https://openalex.org/I2801357902","https://openalex.org/I4387152914"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Rafael Franco","raw_affiliation_strings":["Centro de Investigaci\u00f3n en Red, Enfermedades Neurodegenerativas (CIBERNED), Instituto de Salud Carlos III, 28031 Madrid, Spain","Department of Biochemistry and Molecular Biomedicine, Faculty of Biology, Universitat de Barcelona, 08028 Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Centro de Investigaci\u00f3n en Red, Enfermedades Neurodegenerativas (CIBERNED), Instituto de Salud Carlos III, 28031 Madrid, Spain","institution_ids":["https://openalex.org/I4210086696","https://openalex.org/I2801357902"]},{"raw_affiliation_string":"Department of Biochemistry and Molecular Biomedicine, Faculty of Biology, Universitat de Barcelona, 08028 Barcelona, Spain","institution_ids":["https://openalex.org/I71999127"]}]},{"author_position":"last","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":true,"raw_author_name":"Leonardo Pardo","raw_affiliation_strings":["Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Aut\u00f2noma Barcelona, 08193 Bellaterra, Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Laboratory of Computational Medicine, Biostatistics Unit, Faculty of Medicine, Universitat Aut\u00f2noma Barcelona, 08193 Bellaterra, Barcelona, Spain","institution_ids":["https://openalex.org/I123044942"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5046444163"],"corresponding_institution_ids":["https://openalex.org/I123044942"],"apc_list":null,"apc_paid":null,"fwci":0.9436,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.73397111,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":98},"biblio":{"volume":"62","issue":"22","first_page":"5771","last_page":"5779"},"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":0.9947999715805054,"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/T10407","display_name":"Lipid Membrane Structure and Behavior","score":0.9916999936103821,"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/allosteric-regulation","display_name":"Allosteric regulation","score":0.8443192839622498},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6899471879005432},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.6641584038734436},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.6272881031036377},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.4995884895324707},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.4530184268951416},{"id":"https://openalex.org/keywords/transmembrane-domain","display_name":"Transmembrane domain","score":0.437562495470047},{"id":"https://openalex.org/keywords/agonist","display_name":"Agonist","score":0.426008403301239},{"id":"https://openalex.org/keywords/mutant","display_name":"Mutant","score":0.42207562923431396},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2597924470901489},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.12939882278442383}],"concepts":[{"id":"https://openalex.org/C166342909","wikidata":"https://www.wikidata.org/wiki/Q845326","display_name":"Allosteric regulation","level":3,"score":0.8443192839622498},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6899471879005432},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.6641584038734436},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.6272881031036377},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.4995884895324707},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.4530184268951416},{"id":"https://openalex.org/C118892022","wikidata":"https://www.wikidata.org/wiki/Q7834587","display_name":"Transmembrane domain","level":3,"score":0.437562495470047},{"id":"https://openalex.org/C2778938600","wikidata":"https://www.wikidata.org/wiki/Q389934","display_name":"Agonist","level":3,"score":0.426008403301239},{"id":"https://openalex.org/C143065580","wikidata":"https://www.wikidata.org/wiki/Q3285695","display_name":"Mutant","level":3,"score":0.42207562923431396},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2597924470901489},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.12939882278442383},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1021/acs.jcim.2c00865","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c00865","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00865","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"mag:36302505","is_oa":false,"landing_page_url":"http://ci.nii.ac.jp/ncid/BB09565676","pdf_url":null,"source":{"id":"https://openalex.org/S4306484477","display_name":"\u5357\u96f2\u5802 eBooks","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"ebook platform"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"\u5357\u96f2\u5802 eBooks","raw_type":null},{"id":"pmh:oai:ddd.uab.cat:269350","is_oa":true,"landing_page_url":"https://ddd.uab.cat/record/269350","pdf_url":null,"source":{"id":"https://openalex.org/S4306400380","display_name":"Dip\u00f2sit Digital de Documents de la UAB (Universitat Aut\u00f2noma de Barcelona)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I123044942","host_organization_name":"Universitat Aut\u00f2noma de Barcelona","host_organization_lineage":["https://openalex.org/I123044942"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Article"},{"id":"pmh:oai:diposit.ub.edu:2445/191975","is_oa":true,"landing_page_url":"http://hdl.handle.net/2445/191975","pdf_url":null,"source":{"id":"https://openalex.org/S4306401653","display_name":"Dip\u00f2sit Digital de la Universitat de Barcelona (Universitat de Barcelona)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I71999127","host_organization_name":"Universitat de Barcelona","host_organization_lineage":["https://openalex.org/I71999127"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Articles publicats en revistes (Bioqu\u00edmica i Biomedicina Molecular)","raw_type":"info:eu-repo/semantics/acceptedVersion"},{"id":"pmh:oai:pubmedcentral.nih.gov:9709915","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/9709915","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.2c00865","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c00865","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00865","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1589845677","display_name":null,"funder_award_id":"PID2020-113430RB-I00","funder_id":"https://openalex.org/F4320321837","funder_display_name":"Ministerio de Econom\u00eda y Competitividad"},{"id":"https://openalex.org/G2637346202","display_name":null,"funder_award_id":"RTI2018-094204-B-I00","funder_id":"https://openalex.org/F4320321837","funder_display_name":"Ministerio de Econom\u00eda y Competitividad"},{"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"},{"id":"https://openalex.org/G7755471979","display_name":null,"funder_award_id":"PID2019-109240RB-I00","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/F4320326826","display_name":"Universitat Aut\u00f2noma de Barcelona","ror":"https://ror.org/052g8jq94"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4307504013.pdf","grobid_xml":"https://content.openalex.org/works/W4307504013.grobid-xml"},"referenced_works_count":78,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1833104430","https://openalex.org/W1969133910","https://openalex.org/W1970613671","https://openalex.org/W1974405795","https://openalex.org/W2010508157","https://openalex.org/W2029667189","https://openalex.org/W2039812658","https://openalex.org/W2044077074","https://openalex.org/W2044309821","https://openalex.org/W2047144511","https://openalex.org/W2049617698","https://openalex.org/W2051994079","https://openalex.org/W2052032940","https://openalex.org/W2069505357","https://openalex.org/W2071014521","https://openalex.org/W2083180327","https://openalex.org/W2086836468","https://openalex.org/W2114650590","https://openalex.org/W2117003397","https://openalex.org/W2137825366","https://openalex.org/W2140831051","https://openalex.org/W2142409978","https://openalex.org/W2146411229","https://openalex.org/W2147993766","https://openalex.org/W2149141089","https://openalex.org/W2160951920","https://openalex.org/W2162109316","https://openalex.org/W2165775221","https://openalex.org/W2167857702","https://openalex.org/W2170711116","https://openalex.org/W2252718331","https://openalex.org/W2289177473","https://openalex.org/W2323104785","https://openalex.org/W2327581403","https://openalex.org/W2330624365","https://openalex.org/W2404280981","https://openalex.org/W2411934008","https://openalex.org/W2461189873","https://openalex.org/W2507723354","https://openalex.org/W2509928882","https://openalex.org/W2533852048","https://openalex.org/W2553376712","https://openalex.org/W2558217333","https://openalex.org/W2585121519","https://openalex.org/W2604223107","https://openalex.org/W2617465248","https://openalex.org/W2765153686","https://openalex.org/W2805047307","https://openalex.org/W2891161399","https://openalex.org/W2897059447","https://openalex.org/W2898092412","https://openalex.org/W2910852897","https://openalex.org/W2912747705","https://openalex.org/W2924677843","https://openalex.org/W2940668662","https://openalex.org/W2945218994","https://openalex.org/W2970740744","https://openalex.org/W2973145235","https://openalex.org/W2996405687","https://openalex.org/W3003713259","https://openalex.org/W3004133632","https://openalex.org/W3048458691","https://openalex.org/W3094427976","https://openalex.org/W3103582283","https://openalex.org/W3110608978","https://openalex.org/W3174930543","https://openalex.org/W3181632501","https://openalex.org/W3198246574","https://openalex.org/W4200113485","https://openalex.org/W4200136444","https://openalex.org/W4205884876","https://openalex.org/W4210907760","https://openalex.org/W4212834356","https://openalex.org/W4221091810","https://openalex.org/W4226101044","https://openalex.org/W4229441147","https://openalex.org/W4242360498"],"related_works":["https://openalex.org/W2046450796","https://openalex.org/W2939998722","https://openalex.org/W2169750653","https://openalex.org/W2195592873","https://openalex.org/W1971782741","https://openalex.org/W3005062988","https://openalex.org/W4211217675","https://openalex.org/W2911329269","https://openalex.org/W2037638532","https://openalex.org/W2025584407"],"abstract_inverted_index":{"Molecular":[0],"dynamic":[1],"(MD)":[2],"simulations":[3,30],"have":[4,27],"become":[5],"a":[6,82,97,113],"common":[7],"tool":[8],"to":[9,16,34,44,66,95,127,153],"study":[10,35],"the":[11,17,36,40,45,52,60,67,71,78,87,92,102,109,125,128,138,143,146,155,162,179],"pathway":[12,80,133,169],"of":[13,21,39,86,145,181],"ligand":[14,61,89,103,167],"entry":[15,168],"orthosteric":[18,129],"binding":[19,37,62,68,79,130,172],"site":[20,107],"G":[22],"protein-coupled":[23],"receptors.":[24],"Here,":[25],"we":[26],"combined":[28],"MD":[29],"and":[31,54,119,121],"site-directed":[32],"mutagenesis":[33],"process":[38,84],"potent":[41],"JWH-133":[42,149],"agonist":[43],"cannabinoid":[46],"CB<sub>2</sub>":[47],"receptor":[48],"(CB<sub>2</sub>R).":[49],"In":[50],"CB<sub>2</sub>R,":[51],"N-terminus":[53],"extracellular":[55,72],"loop":[56],"2":[57],"fold":[58],"over":[59],"pocket,":[63],"blocking":[64],"access":[65],"cavity":[69],"from":[70,100,124],"environment.":[73],"We,":[74],"thus,":[75],"hypothesized":[76],"that":[77,141,174],"is":[81],"multistage":[83],"consisting":[85],"hydrophobic":[88],"diffusing":[90],"in":[91,159],"lipid":[93],"bilayer":[94],"contact":[96],"lipid-facing":[98],"vestibule,":[99],"which":[101],"enters":[104],"an":[105],"allosteric":[106,126],"inside":[108],"transmembrane":[110],"bundle":[111],"through":[112],"tunnel":[114],"formed":[115],"between":[116],"TMs":[117],"1":[118],"7":[120],"finally":[122],"moving":[123],"cavity.":[131],"This":[132,165],"was":[134,150],"experimentally":[135],"validated":[136],"by":[137],"Ala282<sup>7.36</sup>Phe":[139],"mutation":[140],"blocks":[142],"entrance":[144],"ligand,":[147],"as":[148],"not":[151],"able":[152],"decrease":[154],"forskolin-induced":[156],"cAMP":[157],"levels":[158],"cells":[160],"expressing":[161],"mutant":[163],"receptor.":[164],"proposed":[166],"defines":[170],"transient":[171],"sites":[173],"are":[175],"potential":[176],"cavities":[177],"for":[178],"design":[180],"synthetic":[182],"modulators.":[183]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":6},{"year":2023,"cited_by_count":3}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2022-11-02T00:00:00"}