{"id":"https://openalex.org/W2139362074","doi":"https://doi.org/10.1093/nar/gkr825","title":"Pocketome: an encyclopedia of small-molecule binding sites in 4D","display_name":"Pocketome: an encyclopedia of small-molecule binding sites in 4D","publication_year":2011,"publication_date":"2011-11-12","ids":{"openalex":"https://openalex.org/W2139362074","doi":"https://doi.org/10.1093/nar/gkr825","mag":"2139362074","pmid":"https://pubmed.ncbi.nlm.nih.gov/22080553"},"language":"en","primary_location":{"id":"doi:10.1093/nar/gkr825","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkr825","pdf_url":"https://academic.oup.com/nar/article-pdf/40/D1/D535/16956074/gkr825.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://academic.oup.com/nar/article-pdf/40/D1/D535/16956074/gkr825.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5004550798","display_name":"Irina Kufareva","orcid":"https://orcid.org/0000-0001-9083-7039"},"institutions":[{"id":"https://openalex.org/I6750721","display_name":"University of Montana","ror":"https://ror.org/0078xmk34","country_code":"US","type":"education","lineage":["https://openalex.org/I6750721"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Irina Kufareva","raw_affiliation_strings":["UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, La Jolla, CA 92093, USA. ikufareva@ucsd.edu","UCSD, Skaggs School of Pharmacy and Pharmaceutical Sciences, La Jolla, CA 92093, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, La Jolla, CA 92093, USA. ikufareva@ucsd.edu","institution_ids":["https://openalex.org/I6750721"]},{"raw_affiliation_string":"UCSD, Skaggs School of Pharmacy and Pharmaceutical Sciences, La Jolla, CA 92093, USA","institution_ids":["https://openalex.org/I6750721"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047050021","display_name":"Andrey V. Ilatovskiy","orcid":"https://orcid.org/0000-0001-5975-0445"},"institutions":[{"id":"https://openalex.org/I212220629","display_name":"Peter the Great St. Petersburg Polytechnic University","ror":"https://ror.org/02x91aj62","country_code":"RU","type":"education","lineage":["https://openalex.org/I212220629"]},{"id":"https://openalex.org/I6750721","display_name":"University of Montana","ror":"https://ror.org/0078xmk34","country_code":"US","type":"education","lineage":["https://openalex.org/I6750721"]}],"countries":["RU","US"],"is_corresponding":false,"raw_author_name":"Andrey V. Ilatovskiy","raw_affiliation_strings":["UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, La Jolla, CA, 92093, USA, 2 Division of Molecular and Radiation Biophysics, Petersburg Nuclear Physics Institute, Russian Academy of Sciences, Gatchina, 188300 and 3 Research and Education Center \u2018Biophysics\u2019, PNPI RAS and St. Petersburg State Polytechnical University, St. Petersburg, 194064, Russia","University of Montana, Missoula, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, La Jolla, CA, 92093, USA, 2 Division of Molecular and Radiation Biophysics, Petersburg Nuclear Physics Institute, Russian Academy of Sciences, Gatchina, 188300 and 3 Research and Education Center \u2018Biophysics\u2019, PNPI RAS and St. Petersburg State Polytechnical University, St. Petersburg, 194064, Russia","institution_ids":["https://openalex.org/I212220629"]},{"raw_affiliation_string":"University of Montana, Missoula, United States","institution_ids":["https://openalex.org/I6750721"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5064101943","display_name":"Ruben Abagyan","orcid":"https://orcid.org/0000-0001-9309-2976"},"institutions":[{"id":"https://openalex.org/I212220629","display_name":"Peter the Great St. Petersburg Polytechnic University","ror":"https://ror.org/02x91aj62","country_code":"RU","type":"education","lineage":["https://openalex.org/I212220629"]},{"id":"https://openalex.org/I6750721","display_name":"University of Montana","ror":"https://ror.org/0078xmk34","country_code":"US","type":"education","lineage":["https://openalex.org/I6750721"]}],"countries":["RU","US"],"is_corresponding":true,"raw_author_name":"Ruben Abagyan","raw_affiliation_strings":["UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, La Jolla, CA, 92093, USA, 2 Division of Molecular and Radiation Biophysics, Petersburg Nuclear Physics Institute, Russian Academy of Sciences, Gatchina, 188300 and 3 Research and Education Center \u2018Biophysics\u2019, PNPI RAS and St. Petersburg State Polytechnical University, St. Petersburg, 194064, Russia","University of Montana, Missoula, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, La Jolla, CA, 92093, USA, 2 Division of Molecular and Radiation Biophysics, Petersburg Nuclear Physics Institute, Russian Academy of Sciences, Gatchina, 188300 and 3 Research and Education Center \u2018Biophysics\u2019, PNPI RAS and St. Petersburg State Polytechnical University, St. Petersburg, 194064, Russia","institution_ids":["https://openalex.org/I212220629"]},{"raw_affiliation_string":"University of Montana, Missoula, United States","institution_ids":["https://openalex.org/I6750721"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5004550798","https://openalex.org/A5064101943"],"corresponding_institution_ids":["https://openalex.org/I212220629","https://openalex.org/I6750721"],"apc_list":{"value":3630,"currency":"USD","value_usd":3630},"apc_paid":{"value":3630,"currency":"USD","value_usd":3630},"fwci":4.497,"has_fulltext":true,"cited_by_count":183,"citation_normalized_percentile":{"value":0.9584858,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"40","issue":"D1","first_page":"D535","last_page":"D540"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9994999766349792,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9994999766349792,"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/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9987000226974487,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9962999820709229,"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/druggability","display_name":"Druggability","score":0.7433193922042847},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.610404908657074},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.6006861925125122},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.5975778102874756},{"id":"https://openalex.org/keywords/intrinsically-disordered-proteins","display_name":"Intrinsically disordered proteins","score":0.5387078523635864},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.4910695552825928},{"id":"https://openalex.org/keywords/protein-data-bank","display_name":"Protein Data Bank","score":0.4494381844997406},{"id":"https://openalex.org/keywords/encyclopedia","display_name":"Encyclopedia","score":0.4458143711090088},{"id":"https://openalex.org/keywords/uniprot","display_name":"UniProt","score":0.43879905343055725},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.4269605875015259},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.38566678762435913},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.3502202033996582},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.20162159204483032},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.1767553985118866}],"concepts":[{"id":"https://openalex.org/C10679952","wikidata":"https://www.wikidata.org/wiki/Q5308937","display_name":"Druggability","level":3,"score":0.7433193922042847},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.610404908657074},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.6006861925125122},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.5975778102874756},{"id":"https://openalex.org/C2778815515","wikidata":"https://www.wikidata.org/wiki/Q3408242","display_name":"Intrinsically disordered proteins","level":2,"score":0.5387078523635864},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.4910695552825928},{"id":"https://openalex.org/C119145174","wikidata":"https://www.wikidata.org/wiki/Q7251429","display_name":"Protein Data Bank","level":3,"score":0.4494381844997406},{"id":"https://openalex.org/C148863701","wikidata":"https://www.wikidata.org/wiki/Q5292","display_name":"Encyclopedia","level":2,"score":0.4458143711090088},{"id":"https://openalex.org/C202264299","wikidata":"https://www.wikidata.org/wiki/Q905695","display_name":"UniProt","level":3,"score":0.43879905343055725},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.4269605875015259},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.38566678762435913},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.3502202033996582},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.20162159204483032},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.1767553985118866},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C161191863","wikidata":"https://www.wikidata.org/wiki/Q199655","display_name":"Library science","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[{"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":"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":"D004690","descriptor_name":"Encyclopedias as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004690","descriptor_name":"Encyclopedias as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004690","descriptor_name":"Encyclopedias as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004690","descriptor_name":"Encyclopedias as Topic","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004690","descriptor_name":"Encyclopedias as Topic","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":true},{"descriptor_ui":"D008024","descriptor_name":"Ligands","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":true},{"descriptor_ui":"D008024","descriptor_name":"Ligands","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":true},{"descriptor_ui":"D017434","descriptor_name":"Protein Structure, Tertiary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017434","descriptor_name":"Protein Structure, Tertiary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017434","descriptor_name":"Protein Structure, Tertiary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017434","descriptor_name":"Protein Structure, Tertiary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017434","descriptor_name":"Protein Structure, Tertiary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":8,"locations":[{"id":"doi:10.1093/nar/gkr825","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkr825","pdf_url":"https://academic.oup.com/nar/article-pdf/40/D1/D535/16956074/gkr825.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},{"id":"pmid:22080553","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22080553","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":"Nucleic acids research","raw_type":null},{"id":"pmh:oai:escholarship.org:ark:/13030/qt4p19k3f2","is_oa":true,"landing_page_url":"https://escholarship.org/uc/item/4p19k3f2","pdf_url":"https://escholarship.org/uc/item/4p19k3f2","source":{"id":"https://openalex.org/S4306400115","display_name":"eScholarship (California Digital Library)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I2801248553","host_organization_name":"California Digital Library","host_organization_lineage":["https://openalex.org/I2801248553"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Nucleic Acids Research, vol 40, iss D1","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:3245087","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3245087","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Nucleic Acids Res","raw_type":"Text"},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.825.1227","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.825.1227","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://nar.oxfordjournals.org/content/early/2011/11/12/nar.gkr825.full.pdf","raw_type":"text"},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.825.5011","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.825.5011","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://nar.oxfordjournals.org/content/40/D1/D535.full.pdf","raw_type":"text"},{"id":"pmh:ark:/13030/qt4p19k3f2","is_oa":false,"landing_page_url":null,"pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null},{"id":"pmh:oai:open-archive.highwire.org:nar:40/D1/D535","is_oa":false,"landing_page_url":"http://nar.oxfordjournals.org/cgi/content/short/40/D1/D535","pdf_url":null,"source":{"id":"https://openalex.org/S4406923041","display_name":"HighWire Press Open Archive","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"TEXT"}],"best_oa_location":{"id":"doi:10.1093/nar/gkr825","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkr825","pdf_url":"https://academic.oup.com/nar/article-pdf/40/D1/D535/16956074/gkr825.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1766531844","display_name":null,"funder_award_id":"U54GM094618","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G250925262","display_name":null,"funder_award_id":"R01GM071872","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G2994928957","display_name":null,"funder_award_id":"U01 GM 094612","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G3221737749","display_name":null,"funder_award_id":"RC2LM010994","funder_id":"https://openalex.org/F4320337372","funder_display_name":"U.S. National Library of Medicine"},{"id":"https://openalex.org/G3526557376","display_name":"Structure, Dynamics and Activation Mechanisms of Chemokine Receptors","funder_award_id":"5u01gm094612-03","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G5993825863","display_name":"Flexible Macromolecular Docking","funder_award_id":"5r01gm071872-13","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G7026519940","display_name":"GPCR Network","funder_award_id":"7u54gm094618-06","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"},{"id":"https://openalex.org/F4320337372","display_name":"U.S. National Library of Medicine","ror":"https://ror.org/0060t0j89"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2139362074.pdf","grobid_xml":"https://content.openalex.org/works/W2139362074.grobid-xml"},"referenced_works_count":33,"referenced_works":["https://openalex.org/W1482971402","https://openalex.org/W1499921085","https://openalex.org/W1574656685","https://openalex.org/W1975740938","https://openalex.org/W1976975058","https://openalex.org/W1980962873","https://openalex.org/W2002635898","https://openalex.org/W2006421122","https://openalex.org/W2012969029","https://openalex.org/W2028807752","https://openalex.org/W2030885633","https://openalex.org/W2040219737","https://openalex.org/W2058730349","https://openalex.org/W2060542511","https://openalex.org/W2063287670","https://openalex.org/W2064154425","https://openalex.org/W2071500926","https://openalex.org/W2075802963","https://openalex.org/W2083747978","https://openalex.org/W2102513649","https://openalex.org/W2106810308","https://openalex.org/W2119470100","https://openalex.org/W2122434726","https://openalex.org/W2124074156","https://openalex.org/W2124850224","https://openalex.org/W2133671332","https://openalex.org/W2136009931","https://openalex.org/W2137841449","https://openalex.org/W2140690192","https://openalex.org/W2168747115","https://openalex.org/W2170441710","https://openalex.org/W2612240612","https://openalex.org/W6629125224"],"related_works":["https://openalex.org/W1940404995","https://openalex.org/W2901690382","https://openalex.org/W2604763988","https://openalex.org/W2124891985","https://openalex.org/W3132544722","https://openalex.org/W3181892255","https://openalex.org/W4232154957","https://openalex.org/W2887882375","https://openalex.org/W4386195056","https://openalex.org/W3006549693"],"abstract_inverted_index":{"The":[0,64,101,137,169],"importance":[1],"of":[2,23,43,51,66,92,103,115,146,149,160],"binding":[3,53,154],"site":[4],"plasticity":[5,25],"in":[6,16,31,55],"protein-ligand":[7,35],"interactions":[8],"is":[9,106,126],"well-recognized,":[10],"and":[11,20,60,96,109,120,157,179,189],"so":[12],"are":[13],"the":[14,18,21,33,39,69,77,84,90,104,112,116,121,144,161,164],"difficulties":[15],"predicting":[17],"nature":[19],"degree":[22,91],"this":[24,124],"by":[26,58,89,128],"computational":[27],"means.":[28],"To":[29],"assist":[30],"understanding":[32],"flexible":[34],"interactions,":[36],"we":[37],"constructed":[38],"Pocketome,":[40],"an":[41,72],"encyclopedia":[42],"about":[44],"one":[45],"thousand":[46],"experimentally":[47],"solved":[48],"conformational":[49,150],"ensembles":[50,70,162],"druggable":[52],"sites":[54,145],"proteins,":[56],"grouped":[57],"location":[59],"consistent":[61],"chain/cofactor":[62],"composition.":[63],"multiplicity":[65],"pockets":[67,85],"within":[68],"adds":[71],"extra,":[73],"fourth":[74],"dimension":[75],"to":[76,175,186],"Pocketome":[78,105,138,170],"entry":[79],"data.":[80],"Within":[81],"each":[82],"ensemble,":[83],"were":[86],"carefully":[87],"classified":[88],"their":[93],"pairwise":[94],"similarity":[95],"compatibility":[97,155],"with":[98],"different":[99],"ligands.":[100],"core":[102,125],"derived":[107],"regularly":[108],"automatically":[110],"from":[111,131],"current":[113],"releases":[114],"Protein":[117],"Data":[118],"Bank":[119],"Uniprot":[122],"Knowledgebase;":[123],"complemented":[127],"entries":[129],"built":[130],"manually":[132],"provided":[133],"seed":[134],"ligand":[135,191],"locations.":[136],"website":[139],"(www.pocketome.org)":[140],"allows":[141],"searching":[142],"for":[143],"interest,":[147],"analysis":[148],"clusters,":[151],"important":[152],"residues,":[153],"matrices":[156],"interactive":[158],"visualization":[159],"using":[163],"ActiveICM":[165],"web":[166],"browser":[167],"plugin.":[168],"collection":[171],"can":[172],"be":[173],"used":[174],"build":[176],"multi-conformational":[177],"docking":[178],"3D":[180],"activity":[181],"models":[182],"as":[183,185],"well":[184],"design":[187],"cross-docking":[188],"virtual":[190],"screening":[192],"benchmarks.":[193]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":14},{"year":2024,"cited_by_count":9},{"year":2023,"cited_by_count":10},{"year":2022,"cited_by_count":13},{"year":2021,"cited_by_count":14},{"year":2020,"cited_by_count":19},{"year":2019,"cited_by_count":16},{"year":2018,"cited_by_count":15},{"year":2017,"cited_by_count":11},{"year":2016,"cited_by_count":16},{"year":2015,"cited_by_count":6},{"year":2014,"cited_by_count":17},{"year":2013,"cited_by_count":9},{"year":2012,"cited_by_count":11}],"updated_date":"2026-08-12T21:12:35.861297","created_date":"2025-10-10T00:00:00"}