{"id":"https://openalex.org/W2009358092","doi":"https://doi.org/10.1371/journal.pcbi.1003302","title":"A Comprehensive Survey of Small-Molecule Binding Pockets in Proteins","display_name":"A Comprehensive Survey of Small-Molecule Binding Pockets in Proteins","publication_year":2013,"publication_date":"2013-10-24","ids":{"openalex":"https://openalex.org/W2009358092","doi":"https://doi.org/10.1371/journal.pcbi.1003302","mag":"2009358092","pmid":"https://pubmed.ncbi.nlm.nih.gov/24204237"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.1003302","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1003302","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1003302&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1003302&type=printable","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5000947559","display_name":"Mu Gao","orcid":"https://orcid.org/0000-0002-0378-3704"},"institutions":[{"id":"https://openalex.org/I130701444","display_name":"Georgia Institute of Technology","ror":"https://ror.org/01zkghx44","country_code":"US","type":"education","lineage":["https://openalex.org/I130701444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Mu Gao","raw_affiliation_strings":["Center for the Study of Systems Biology, School of Biology, Georgia Institute of Technology, Atlanta, Georgia, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for the Study of Systems Biology, School of Biology, Georgia Institute of Technology, Atlanta, Georgia, United States of America","institution_ids":["https://openalex.org/I130701444"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5010808261","display_name":"Jeffrey Skolnick","orcid":"https://orcid.org/0000-0002-1877-4958"},"institutions":[{"id":"https://openalex.org/I130701444","display_name":"Georgia Institute of Technology","ror":"https://ror.org/01zkghx44","country_code":"US","type":"education","lineage":["https://openalex.org/I130701444"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Jeffrey Skolnick","raw_affiliation_strings":["Center for the Study of Systems Biology, School of Biology, Georgia Institute of Technology, Atlanta, Georgia, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for the Study of Systems Biology, School of Biology, Georgia Institute of Technology, Atlanta, Georgia, United States of America","institution_ids":["https://openalex.org/I130701444"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5010808261"],"corresponding_institution_ids":["https://openalex.org/I130701444"],"apc_list":{"value":2655,"currency":"USD","value_usd":2655},"apc_paid":{"value":2655,"currency":"USD","value_usd":2655},"fwci":9.2791,"has_fulltext":true,"cited_by_count":144,"citation_normalized_percentile":{"value":0.98408591,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":100},"biblio":{"volume":"9","issue":"10","first_page":"e1003302","last_page":"e1003302"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9995999932289124,"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"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9995999932289124,"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"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9980999827384949,"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/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.9868999719619751,"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/promiscuity","display_name":"Promiscuity","score":0.6868259906768799},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5898296236991882},{"id":"https://openalex.org/keywords/protein-data-bank","display_name":"Protein Data Bank","score":0.5896884202957153},{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.5731579661369324},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.5562524795532227},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.5390298962593079},{"id":"https://openalex.org/keywords/protein-ligand","display_name":"Protein ligand","score":0.5292743444442749},{"id":"https://openalex.org/keywords/protein\u2013protein-interaction","display_name":"Protein\u2013protein interaction","score":0.5229419469833374},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5030130743980408},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.4808971881866455},{"id":"https://openalex.org/keywords/plasma-protein-binding","display_name":"Plasma protein binding","score":0.4687533378601074},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4487256407737732},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.4397936463356018},{"id":"https://openalex.org/keywords/function","display_name":"Function (biology)","score":0.41457152366638184},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.3594236671924591},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.24033990502357483},{"id":"https://openalex.org/keywords/genetics","display_name":"Genetics","score":0.17008811235427856},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.09424909949302673}],"concepts":[{"id":"https://openalex.org/C2779618474","wikidata":"https://www.wikidata.org/wiki/Q261290","display_name":"Promiscuity","level":2,"score":0.6868259906768799},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5898296236991882},{"id":"https://openalex.org/C119145174","wikidata":"https://www.wikidata.org/wiki/Q7251429","display_name":"Protein Data Bank","level":3,"score":0.5896884202957153},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.5731579661369324},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.5562524795532227},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.5390298962593079},{"id":"https://openalex.org/C109095088","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Protein ligand","level":2,"score":0.5292743444442749},{"id":"https://openalex.org/C11804247","wikidata":"https://www.wikidata.org/wiki/Q896177","display_name":"Protein\u2013protein interaction","level":2,"score":0.5229419469833374},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5030130743980408},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.4808971881866455},{"id":"https://openalex.org/C51639874","wikidata":"https://www.wikidata.org/wiki/Q167149","display_name":"Plasma protein binding","level":2,"score":0.4687533378601074},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4487256407737732},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.4397936463356018},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.41457152366638184},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.3594236671924591},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.24033990502357483},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.17008811235427856},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.09424909949302673},{"id":"https://openalex.org/C18903297","wikidata":"https://www.wikidata.org/wiki/Q7150","display_name":"Ecology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","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":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"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":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":7,"locations":[{"id":"doi:10.1371/journal.pcbi.1003302","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1003302","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1003302&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},{"id":"pmid:24204237","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24204237","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":"PLoS computational biology","raw_type":null},{"id":"pmh:oai:europepmc.org:2808977","is_oa":true,"landing_page_url":"http://europepmc.org/articles/PMC3812058","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Text"},{"id":"pmh:oai:pubmedcentral.nih.gov:3812058","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3812058","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Comput Biol","raw_type":"Text"},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.655.7788","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.655.7788","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://cssb.biology.gatech.edu/skolnick/publications/pdffiles/343.pdf","raw_type":"text"},{"id":"pmh:oai:doaj.org/article:488bd90c05274c05a7ec9b1c56118864","is_oa":true,"landing_page_url":"https://doaj.org/article/488bd90c05274c05a7ec9b1c56118864","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","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-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Computational Biology, Vol 9, Iss 10, p e1003302 (2013)","raw_type":"article"},{"id":"pmh:oai:figshare.com:article/832167","is_oa":true,"landing_page_url":"https://figshare.com/articles/dataset/_A_Comprehensive_Survey_of_Small_Molecule_Binding_Pockets_in_Proteins_/832167","pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"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":"","raw_type":"Dataset"}],"best_oa_location":{"id":"doi:10.1371/journal.pcbi.1003302","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1003302","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1003302&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G3529838319","display_name":null,"funder_award_id":"GM-48835","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G6726298766","display_name":null,"funder_award_id":"R01 GM048835","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G714419567","display_name":"Interaction Pattern Based Predictor of Protein Strutures","funder_award_id":"2r01gm048835-20a1","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2009358092.pdf","grobid_xml":"https://content.openalex.org/works/W2009358092.grobid-xml"},"referenced_works_count":59,"referenced_works":["https://openalex.org/W593873606","https://openalex.org/W1580280659","https://openalex.org/W1585634379","https://openalex.org/W1969327849","https://openalex.org/W1969340831","https://openalex.org/W1974638435","https://openalex.org/W1976040382","https://openalex.org/W1984497398","https://openalex.org/W1986068770","https://openalex.org/W1989036772","https://openalex.org/W1993749254","https://openalex.org/W1994660507","https://openalex.org/W2011235285","https://openalex.org/W2013987468","https://openalex.org/W2015147525","https://openalex.org/W2021954541","https://openalex.org/W2023170820","https://openalex.org/W2029667189","https://openalex.org/W2030850720","https://openalex.org/W2031389500","https://openalex.org/W2043605426","https://openalex.org/W2044172420","https://openalex.org/W2050136047","https://openalex.org/W2050982038","https://openalex.org/W2053012672","https://openalex.org/W2054525309","https://openalex.org/W2068481735","https://openalex.org/W2071288995","https://openalex.org/W2074473216","https://openalex.org/W2085870956","https://openalex.org/W2086380285","https://openalex.org/W2091708007","https://openalex.org/W2092190477","https://openalex.org/W2096541451","https://openalex.org/W2096739999","https://openalex.org/W2096864392","https://openalex.org/W2103017472","https://openalex.org/W2103731920","https://openalex.org/W2103935383","https://openalex.org/W2105902442","https://openalex.org/W2112845321","https://openalex.org/W2112946416","https://openalex.org/W2117355601","https://openalex.org/W2121125726","https://openalex.org/W2123032501","https://openalex.org/W2130479394","https://openalex.org/W2136567909","https://openalex.org/W2138078596","https://openalex.org/W2138512826","https://openalex.org/W2139362074","https://openalex.org/W2144477832","https://openalex.org/W2146940292","https://openalex.org/W2151550848","https://openalex.org/W2152500739","https://openalex.org/W2159482845","https://openalex.org/W2159560083","https://openalex.org/W2161151688","https://openalex.org/W2169678694","https://openalex.org/W4294216483"],"related_works":["https://openalex.org/W2334906681","https://openalex.org/W3013529667","https://openalex.org/W2467739942","https://openalex.org/W1574952448","https://openalex.org/W2007965730","https://openalex.org/W2139779008","https://openalex.org/W4387033830","https://openalex.org/W2161203845","https://openalex.org/W2162855312","https://openalex.org/W2769265168"],"abstract_inverted_index":{"Many":[0],"biological":[1],"activities":[2],"originate":[3],"from":[4],"interactions":[5,21,151],"between":[6],"small-molecule":[7],"ligands":[8,106,112],"and":[9,16,30,67,103,115,124,135],"their":[10],"protein":[11,28,61,99],"targets.":[12],"A":[13],"detailed":[14],"structural":[15,58,125],"physico-chemical":[17,123],"characterization":[18],"of":[19,27,44,52,60,80,107,143,149],"these":[20],"could":[22],"significantly":[23],"deepen":[24],"our":[25,144],"understanding":[26,131],"function":[29],"facilitate":[31],"drug":[32],"design.":[33],"Here,":[34],"we":[35,127,139],"present":[36],"a":[37,41,122],"large-scale":[38],"study":[39,145],"on":[40,153],"non-redundant":[42],"set":[43],"about":[45,72],"20,000":[46],"known":[47],"ligand-binding":[48],"sites,":[49],"or":[50],"pockets,":[51],"proteins.":[53],"We":[54],"find":[55],"that":[56],"the":[57,77,85,94,141,147],"space":[59],"pockets":[62,82,100],"is":[63],"crowded,":[64],"likely":[65],"complete,":[66],"may":[68],"be":[69],"represented":[70],"by":[71],"1,000":[73],"pocket":[74,133,154],"shapes.":[75],"Correspondingly,":[76],"growth":[78],"rate":[79],"novel":[81],"deposited":[83],"in":[84],"Protein":[86],"Data":[87],"Bank":[88],"has":[89],"been":[90],"decreasing":[91],"steadily":[92],"over":[93],"recent":[95],"years.":[96],"Moreover,":[97],"many":[98,111],"are":[101,113],"promiscuous":[102,114],"interact":[104,116],"with":[105,117],"diverse":[108],"scaffolds.":[109],"Conversely,":[110],"structurally":[118],"different":[119],"pockets.":[120],"Through":[121],"analysis,":[126],"provide":[128],"insights":[129],"into":[130],"both":[132],"promiscuity":[134],"ligand":[136],"promiscuity.":[137],"Finally,":[138],"discuss":[140],"implications":[142],"for":[146],"prediction":[148],"protein-ligand":[150],"based":[152],"comparison.":[155]},"counts_by_year":[{"year":2026,"cited_by_count":12},{"year":2025,"cited_by_count":14},{"year":2024,"cited_by_count":6},{"year":2023,"cited_by_count":10},{"year":2022,"cited_by_count":15},{"year":2021,"cited_by_count":7},{"year":2020,"cited_by_count":13},{"year":2019,"cited_by_count":16},{"year":2018,"cited_by_count":8},{"year":2017,"cited_by_count":16},{"year":2016,"cited_by_count":9},{"year":2015,"cited_by_count":10},{"year":2014,"cited_by_count":6},{"year":2013,"cited_by_count":1}],"updated_date":"2026-08-11T07:18:39.950985","created_date":"2025-10-10T00:00:00"}