{"id":"https://openalex.org/W4205107473","doi":"https://doi.org/10.1007/s10822-021-00434-1","title":"Binding site identification of G protein-coupled receptors through a 3D Zernike polynomials-based method: application to C. elegans olfactory receptors","display_name":"Binding site identification of G protein-coupled receptors through a 3D Zernike polynomials-based method: application to C. elegans olfactory receptors","publication_year":2022,"publication_date":"2022-01-01","ids":{"openalex":"https://openalex.org/W4205107473","doi":"https://doi.org/10.1007/s10822-021-00434-1","pmid":"https://pubmed.ncbi.nlm.nih.gov/34977999"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-021-00434-1","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-021-00434-1","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10822-021-00434-1.pdf","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","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":true,"oa_status":"hybrid","oa_url":"https://link.springer.com/content/pdf/10.1007/s10822-021-00434-1.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5004111266","display_name":"Lorenzo Di Rienzo","orcid":"https://orcid.org/0000-0003-4114-5049"},"institutions":[{"id":"https://openalex.org/I30771326","display_name":"Italian Institute of Technology","ror":"https://ror.org/042t93s57","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Lorenzo Di Rienzo","raw_affiliation_strings":["Center for Life Nano- & Neuro-Science, Istituto Italiano di Tecnologia, Viale Regina Elena 291, 00161, Rome, Italy. lorenzo.dirienzo@iit.it","Center for Life Nano- & Neuro-Science, Istituto Italiano di Tecnologia, Viale Regina Elena 291, 00161, Rome, Italy"],"affiliations":[{"raw_affiliation_string":"Center for Life Nano- & Neuro-Science, Istituto Italiano di Tecnologia, Viale Regina Elena 291, 00161, Rome, Italy. lorenzo.dirienzo@iit.it","institution_ids":[]},{"raw_affiliation_string":"Center for Life Nano- & Neuro-Science, Istituto Italiano di Tecnologia, Viale Regina Elena 291, 00161, Rome, Italy","institution_ids":["https://openalex.org/I30771326"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072173103","display_name":"Luca De Flaviis","orcid":null},"institutions":[{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Luca De Flaviis","raw_affiliation_strings":["Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00185, Rome, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00185, Rome, Italy","institution_ids":["https://openalex.org/I861853513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5035182510","display_name":"Giancarlo Ruocco","orcid":"https://orcid.org/0000-0002-2762-9533"},"institutions":[{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]},{"id":"https://openalex.org/I30771326","display_name":"Italian Institute of Technology","ror":"https://ror.org/042t93s57","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Giancarlo Ruocco","raw_affiliation_strings":["Center for Life Nano- & Neuro-Science, Istituto Italiano di Tecnologia, Viale Regina Elena 291, 00161, Rome, Italy","Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00185, Rome, Italy"],"affiliations":[{"raw_affiliation_string":"Center for Life Nano- & Neuro-Science, Istituto Italiano di Tecnologia, Viale Regina Elena 291, 00161, Rome, Italy","institution_ids":["https://openalex.org/I30771326"]},{"raw_affiliation_string":"Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00185, Rome, Italy","institution_ids":["https://openalex.org/I861853513"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050873342","display_name":"Viola Folli","orcid":null},"institutions":[{"id":"https://openalex.org/I30771326","display_name":"Italian Institute of Technology","ror":"https://ror.org/042t93s57","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Viola Folli","raw_affiliation_strings":["Center for Life Nano- & Neuro-Science, Istituto Italiano di Tecnologia, Viale Regina Elena 291, 00161, Rome, Italy"],"affiliations":[{"raw_affiliation_string":"Center for Life Nano- & Neuro-Science, Istituto Italiano di Tecnologia, Viale Regina Elena 291, 00161, Rome, Italy","institution_ids":["https://openalex.org/I30771326"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5015294553","display_name":"Edoardo Milanetti","orcid":"https://orcid.org/0000-0002-3046-5170"},"institutions":[{"id":"https://openalex.org/I861853513","display_name":"Sapienza University of Rome","ror":"https://ror.org/02be6w209","country_code":"IT","type":"education","lineage":["https://openalex.org/I861853513"]},{"id":"https://openalex.org/I30771326","display_name":"Italian Institute of Technology","ror":"https://ror.org/042t93s57","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Edoardo Milanetti","raw_affiliation_strings":["Center for Life Nano- & Neuro-Science, Istituto Italiano di Tecnologia, Viale Regina Elena 291, 00161, Rome, Italy","Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00185, Rome, Italy"],"affiliations":[{"raw_affiliation_string":"Center for Life Nano- & Neuro-Science, Istituto Italiano di Tecnologia, Viale Regina Elena 291, 00161, Rome, Italy","institution_ids":["https://openalex.org/I30771326"]},{"raw_affiliation_string":"Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00185, Rome, Italy","institution_ids":["https://openalex.org/I861853513"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5004111266"],"corresponding_institution_ids":["https://openalex.org/I30771326"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":{"value":2890,"currency":"EUR","value_usd":3690},"fwci":1.3892,"has_fulltext":true,"cited_by_count":16,"citation_normalized_percentile":{"value":0.7997749,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"36","issue":"1","first_page":"11","last_page":"24"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9984999895095825,"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":0.9984999895095825,"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/T10423","display_name":"Neurobiology and Insect Physiology Research","score":0.9958999752998352,"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":0.992900013923645,"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/g-protein-coupled-receptor","display_name":"G protein-coupled receptor","score":0.8818511366844177},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.6257724761962891},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.6074328422546387},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.44423747062683105},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.4265863299369812},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.4186502695083618},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.4087224304676056},{"id":"https://openalex.org/keywords/neuroscience","display_name":"Neuroscience","score":0.323078453540802},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.20858529210090637}],"concepts":[{"id":"https://openalex.org/C135285700","wikidata":"https://www.wikidata.org/wiki/Q38173","display_name":"G protein-coupled receptor","level":3,"score":0.8818511366844177},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.6257724761962891},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.6074328422546387},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.44423747062683105},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.4265863299369812},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.4186502695083618},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.4087224304676056},{"id":"https://openalex.org/C169760540","wikidata":"https://www.wikidata.org/wiki/Q207011","display_name":"Neuroscience","level":1,"score":0.323078453540802},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.20858529210090637},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","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":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"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":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017173","descriptor_name":"Caenorhabditis elegans","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D017173","descriptor_name":"Caenorhabditis elegans","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D017173","descriptor_name":"Caenorhabditis elegans","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D018035","descriptor_name":"Receptors, Odorant","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1007/s10822-021-00434-1","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-021-00434-1","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10822-021-00434-1.pdf","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:34977999","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/34977999","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:iris.uniroma1.it:11573/1625526","is_oa":true,"landing_page_url":"https://hdl.handle.net/11573/1625526","pdf_url":null,"source":{"id":"https://openalex.org/S4377196107","display_name":"IRIS Research product catalog (Sapienza University of Rome)","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":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:pubmedcentral.nih.gov:8831295","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/8831295","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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Comput Aided Mol Des","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1007/s10822-021-00434-1","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-021-00434-1","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10822-021-00434-1.pdf","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.6700000166893005}],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4205107473.pdf","grobid_xml":"https://content.openalex.org/works/W4205107473.grobid-xml"},"referenced_works_count":66,"referenced_works":["https://openalex.org/W1212501150","https://openalex.org/W1682431075","https://openalex.org/W1843970493","https://openalex.org/W1913782374","https://openalex.org/W1960000138","https://openalex.org/W1965404074","https://openalex.org/W1970742848","https://openalex.org/W1976499671","https://openalex.org/W1979686694","https://openalex.org/W1982545168","https://openalex.org/W1988097700","https://openalex.org/W1996546582","https://openalex.org/W2011014082","https://openalex.org/W2021374144","https://openalex.org/W2022221238","https://openalex.org/W2034214415","https://openalex.org/W2041791898","https://openalex.org/W2048771637","https://openalex.org/W2050015628","https://openalex.org/W2059274030","https://openalex.org/W2064416689","https://openalex.org/W2082390334","https://openalex.org/W2085097806","https://openalex.org/W2097186487","https://openalex.org/W2098147304","https://openalex.org/W2100257305","https://openalex.org/W2100560654","https://openalex.org/W2100672820","https://openalex.org/W2102535700","https://openalex.org/W2107933517","https://openalex.org/W2112804624","https://openalex.org/W2113149602","https://openalex.org/W2121106975","https://openalex.org/W2130479394","https://openalex.org/W2148145769","https://openalex.org/W2148211715","https://openalex.org/W2153867853","https://openalex.org/W2154319440","https://openalex.org/W2155201844","https://openalex.org/W2160938187","https://openalex.org/W2171268876","https://openalex.org/W2177731497","https://openalex.org/W2190161531","https://openalex.org/W2271352405","https://openalex.org/W2580767461","https://openalex.org/W2600993444","https://openalex.org/W2769154729","https://openalex.org/W2774455409","https://openalex.org/W2775621606","https://openalex.org/W2791988510","https://openalex.org/W2792726510","https://openalex.org/W2809303314","https://openalex.org/W2883207459","https://openalex.org/W2884441791","https://openalex.org/W2899070097","https://openalex.org/W2903321785","https://openalex.org/W2923978339","https://openalex.org/W2952268220","https://openalex.org/W2962899493","https://openalex.org/W2973137509","https://openalex.org/W3006472092","https://openalex.org/W3015741991","https://openalex.org/W3041357523","https://openalex.org/W3088466303","https://openalex.org/W3114357590","https://openalex.org/W4294117523"],"related_works":["https://openalex.org/W2609050007","https://openalex.org/W3011298851","https://openalex.org/W4224216382","https://openalex.org/W3195483439","https://openalex.org/W2444295418","https://openalex.org/W2169619547","https://openalex.org/W416861399","https://openalex.org/W4310603295","https://openalex.org/W1967231335","https://openalex.org/W2025584407"],"abstract_inverted_index":{"Studying":[0],"the":[1,18,23,26,46,49,64,69,78,104,131,135,182,193],"binding":[2,50,97,194],"processes":[3],"of":[4,11,48,77,93,113,126,134,141,154,168],"G":[5],"protein-coupled":[6],"receptors":[7,133],"(GPCRs)":[8],"proteins":[9],"is":[10,61,84],"particular":[12],"interest":[13],"both":[14,118],"to":[15,147],"better":[16],"understand":[17],"molecular":[19,80],"mechanisms":[20],"that":[21],"regulate":[22],"signaling":[24],"between":[25,143,196],"extracellular":[27],"and":[28,31,67,86,123,151,165,198],"intracellular":[29],"environment":[30],"for":[32,45,52,171,184],"drug":[33],"design":[34],"purposes.":[35],"In":[36],"this":[37],"study,":[38],"we":[39,128,158,180],"propose":[40],"a":[41,53,57,73,120,139,152],"new":[42],"computational":[43,185],"approach":[44],"identification":[47],"site":[51],"specific":[54],"ligand":[55],"on":[56,63,91,103],"GPCR.":[58],"The":[59,82],"method":[60,83],"based":[62],"Zernike":[65],"polynomials":[66],"performs":[68],"ligand-GPCR":[70],"association":[71],"through":[72],"shape":[74],"complementarity":[75],"analysis":[76],"local":[79],"surfaces.":[81],"parameter-free":[85],"it":[87],"can":[88,159],"distinguish,":[89],"working":[90],"hundreds":[92],"experimentally":[94],"GPCR-ligand":[95],"complexes,":[96],"pockets":[98],"from":[99],"randomly":[100],"sampled":[101],"regions":[102],"receptor":[105],"surface,":[106],"obtaining":[107],"an":[108],"Area":[109],"Under":[110],"ROC":[111],"curve":[112],"0.77.":[114],"Given":[115],"its":[116,148],"importance":[117],"as":[119],"model":[121],"organism":[122],"in":[124,175],"terms":[125],"applications,":[127],"thus":[129],"investigated":[130],"olfactory":[132,149],"C.":[136],"elegans,":[137],"building":[138],"list":[140],"associations":[142],"21":[144],"GPCRs":[145],"belonging":[146],"neurons":[150],"set":[153],"possible":[155],"ligands.":[156],"Thus,":[157],"not":[160],"only":[161],"carry":[162],"out":[163],"rapid":[164],"efficient":[166],"screenings":[167],"drugs":[169],"proposed":[170],"GPCRs,":[172],"key":[173],"targets":[174],"many":[176],"pathologies,":[177],"but":[178],"also":[179],"laid":[181],"groundwork":[183],"mutagenesis":[186],"processes,":[187],"aimed":[188],"at":[189],"increasing":[190],"or":[191],"decreasing":[192],"affinity":[195],"ligands":[197],"receptors.":[199]},"counts_by_year":[{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":6},{"year":2022,"cited_by_count":1}],"updated_date":"2026-03-13T16:22:10.518609","created_date":"2025-10-10T00:00:00"}