{"id":"https://openalex.org/W2169434145","doi":"https://doi.org/10.1093/nar/gkm839","title":"LigASite a database of biologically relevant binding sites in proteins with known apo-structures","display_name":"LigASite a database of biologically relevant binding sites in proteins with known apo-structures","publication_year":2007,"publication_date":"2007-10-12","ids":{"openalex":"https://openalex.org/W2169434145","doi":"https://doi.org/10.1093/nar/gkm839","mag":"2169434145","pmid":"https://pubmed.ncbi.nlm.nih.gov/17933762"},"language":"en","primary_location":{"id":"doi:10.1093/nar/gkm839","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkm839","pdf_url":"https://academic.oup.com/nar/article-pdf/36/suppl_1/D667/7630527/gkm839.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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","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/36/suppl_1/D667/7630527/gkm839.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5018136211","display_name":"B. H. Dessailly","orcid":null},"institutions":[{"id":"https://openalex.org/I132053463","display_name":"Universit\u00e9 Libre de Bruxelles","ror":"https://ror.org/01r9htc13","country_code":"BE","type":"education","lineage":["https://openalex.org/I132053463"]},{"id":"https://openalex.org/I2801317318","display_name":"Hospital for Sick Children","ror":"https://ror.org/057q4rt57","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I2801317318"]}],"countries":["BE","CA"],"is_corresponding":true,"raw_author_name":"B. H. Dessailly","raw_affiliation_strings":["Center for Structural Biology and Bioinformatics, Universit\u00e9 Libre de Bruxelles (U. L. B.), Bld du Triomphe - CP 263, 1050 Bruxelles, Belgium","Center for Structural Biology and Bioinformatics, Universit\u00e9 Libre de Bruxelles (U. L. B.), Bld du Triomphe \u2013 CP 263, 1050 Bruxelles, Belgium, 2 Biomolecular Structure and Modelling Unit, University College of London, Gower Street, London WC1E 6BT, UK and 3 Structural Biology and Biochemistry Program, Hospital for Sick Children, 555 University Avenue, Toronto, Ontario M5G 1X8, Canada"],"affiliations":[{"raw_affiliation_string":"Center for Structural Biology and Bioinformatics, Universit\u00e9 Libre de Bruxelles (U. L. B.), Bld du Triomphe - CP 263, 1050 Bruxelles, Belgium","institution_ids":[]},{"raw_affiliation_string":"Center for Structural Biology and Bioinformatics, Universit\u00e9 Libre de Bruxelles (U. L. B.), Bld du Triomphe \u2013 CP 263, 1050 Bruxelles, Belgium, 2 Biomolecular Structure and Modelling Unit, University College of London, Gower Street, London WC1E 6BT, UK and 3 Structural Biology and Biochemistry Program, Hospital for Sick Children, 555 University Avenue, Toronto, Ontario M5G 1X8, Canada","institution_ids":["https://openalex.org/I132053463","https://openalex.org/I2801317318"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054179571","display_name":"Marc F. Lensink","orcid":"https://orcid.org/0000-0003-3957-9470"},"institutions":[{"id":"https://openalex.org/I132053463","display_name":"Universit\u00e9 Libre de Bruxelles","ror":"https://ror.org/01r9htc13","country_code":"BE","type":"education","lineage":["https://openalex.org/I132053463"]},{"id":"https://openalex.org/I2801317318","display_name":"Hospital for Sick Children","ror":"https://ror.org/057q4rt57","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I2801317318"]}],"countries":["BE","CA"],"is_corresponding":false,"raw_author_name":"M. F. Lensink","raw_affiliation_strings":["Center for Structural Biology and Bioinformatics, Universite Libre de Bruxelles (U. L. B.), Bld du Triomphe -CP 263, 1050 Bruxelles, Belgium,","Center for Structural Biology and Bioinformatics, Universit\u00e9 Libre de Bruxelles (U. L. B.), Bld du Triomphe \u2013 CP 263, 1050 Bruxelles, Belgium, 2 Biomolecular Structure and Modelling Unit, University College of London, Gower Street, London WC1E 6BT, UK and 3 Structural Biology and Biochemistry Program, Hospital for Sick Children, 555 University Avenue, Toronto, Ontario M5G 1X8, Canada"],"affiliations":[{"raw_affiliation_string":"Center for Structural Biology and Bioinformatics, Universite Libre de Bruxelles (U. L. B.), Bld du Triomphe -CP 263, 1050 Bruxelles, Belgium,","institution_ids":["https://openalex.org/I132053463"]},{"raw_affiliation_string":"Center for Structural Biology and Bioinformatics, Universit\u00e9 Libre de Bruxelles (U. L. B.), Bld du Triomphe \u2013 CP 263, 1050 Bruxelles, Belgium, 2 Biomolecular Structure and Modelling Unit, University College of London, Gower Street, London WC1E 6BT, UK and 3 Structural Biology and Biochemistry Program, Hospital for Sick Children, 555 University Avenue, Toronto, Ontario M5G 1X8, Canada","institution_ids":["https://openalex.org/I132053463","https://openalex.org/I2801317318"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081250379","display_name":"Christine Orengo","orcid":null},"institutions":[{"id":"https://openalex.org/I132053463","display_name":"Universit\u00e9 Libre de Bruxelles","ror":"https://ror.org/01r9htc13","country_code":"BE","type":"education","lineage":["https://openalex.org/I132053463"]},{"id":"https://openalex.org/I2801317318","display_name":"Hospital for Sick Children","ror":"https://ror.org/057q4rt57","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I2801317318"]},{"id":"https://openalex.org/I45129253","display_name":"University College London","ror":"https://ror.org/02jx3x895","country_code":"GB","type":"education","lineage":["https://openalex.org/I124357947","https://openalex.org/I45129253"]},{"id":"https://openalex.org/I4210098748","display_name":"Department of Science and Technology","ror":"https://ror.org/0101xrq71","country_code":"IN","type":"government","lineage":["https://openalex.org/I2799351866","https://openalex.org/I4210098748","https://openalex.org/I4210134808"]}],"countries":["BE","CA","GB","IN"],"is_corresponding":false,"raw_author_name":"C. A. Orengo","raw_affiliation_strings":["Biomolecular Structure and Modelling Unit, University College of London, Gower Street, London WC1E 6BT, UK and","Center for Structural Biology and Bioinformatics, Universit\u00e9 Libre de Bruxelles (U. L. B.), Bld du Triomphe \u2013 CP 263, 1050 Bruxelles, Belgium, 2 Biomolecular Structure and Modelling Unit, University College of London, Gower Street, London WC1E 6BT, UK and 3 Structural Biology and Biochemistry Program, Hospital for Sick Children, 555 University Avenue, Toronto, Ontario M5G 1X8, Canada"],"affiliations":[{"raw_affiliation_string":"Biomolecular Structure and Modelling Unit, University College of London, Gower Street, London WC1E 6BT, UK and","institution_ids":["https://openalex.org/I45129253","https://openalex.org/I4210098748"]},{"raw_affiliation_string":"Center for Structural Biology and Bioinformatics, Universit\u00e9 Libre de Bruxelles (U. L. B.), Bld du Triomphe \u2013 CP 263, 1050 Bruxelles, Belgium, 2 Biomolecular Structure and Modelling Unit, University College of London, Gower Street, London WC1E 6BT, UK and 3 Structural Biology and Biochemistry Program, Hospital for Sick Children, 555 University Avenue, Toronto, Ontario M5G 1X8, Canada","institution_ids":["https://openalex.org/I132053463","https://openalex.org/I2801317318"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5074905519","display_name":"Shoshana J. Wodak","orcid":"https://orcid.org/0000-0002-0701-6545"},"institutions":[{"id":"https://openalex.org/I2801317318","display_name":"Hospital for Sick Children","ror":"https://ror.org/057q4rt57","country_code":"CA","type":"healthcare","lineage":["https://openalex.org/I2801317318"]},{"id":"https://openalex.org/I132053463","display_name":"Universit\u00e9 Libre de Bruxelles","ror":"https://ror.org/01r9htc13","country_code":"BE","type":"education","lineage":["https://openalex.org/I132053463"]}],"countries":["BE","CA"],"is_corresponding":false,"raw_author_name":"S. J. Wodak","raw_affiliation_strings":["Center for Structural Biology and Bioinformatics, Universite Libre de Bruxelles (U. L. B.), Bld du Triomphe -CP 263, 1050 Bruxelles, Belgium,","Structural Biology and Biochemistry Program, Hospital for Sick Children, 555 University Avenue, Toronto, Ontario M5G 1X8, Canada","Center for Structural Biology and Bioinformatics, Universit\u00e9 Libre de Bruxelles (U. L. B.), Bld du Triomphe \u2013 CP 263, 1050 Bruxelles, Belgium, 2 Biomolecular Structure and Modelling Unit, University College of London, Gower Street, London WC1E 6BT, UK and 3 Structural Biology and Biochemistry Program, Hospital for Sick Children, 555 University Avenue, Toronto, Ontario M5G 1X8, Canada"],"affiliations":[{"raw_affiliation_string":"Center for Structural Biology and Bioinformatics, Universite Libre de Bruxelles (U. L. B.), Bld du Triomphe -CP 263, 1050 Bruxelles, Belgium,","institution_ids":["https://openalex.org/I132053463"]},{"raw_affiliation_string":"Structural Biology and Biochemistry Program, Hospital for Sick Children, 555 University Avenue, Toronto, Ontario M5G 1X8, Canada","institution_ids":["https://openalex.org/I2801317318"]},{"raw_affiliation_string":"Center for Structural Biology and Bioinformatics, Universit\u00e9 Libre de Bruxelles (U. L. B.), Bld du Triomphe \u2013 CP 263, 1050 Bruxelles, Belgium, 2 Biomolecular Structure and Modelling Unit, University College of London, Gower Street, London WC1E 6BT, UK and 3 Structural Biology and Biochemistry Program, Hospital for Sick Children, 555 University Avenue, Toronto, Ontario M5G 1X8, Canada","institution_ids":["https://openalex.org/I132053463","https://openalex.org/I2801317318"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5018136211"],"corresponding_institution_ids":["https://openalex.org/I132053463","https://openalex.org/I2801317318"],"apc_list":{"value":3630,"currency":"USD","value_usd":3630},"apc_paid":{"value":3630,"currency":"USD","value_usd":3630},"fwci":2.0487,"has_fulltext":true,"cited_by_count":90,"citation_normalized_percentile":{"value":0.87500932,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":100},"biblio":{"volume":"36","issue":"Database","first_page":"D667","last_page":"D673"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9991999864578247,"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/T12827","display_name":"Biochemical and Molecular Research","score":0.9898999929428101,"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/protein-data-bank","display_name":"Protein Data Bank (RCSB PDB)","score":0.704479455947876},{"id":"https://openalex.org/keywords/identifier","display_name":"Identifier","score":0.6129716634750366},{"id":"https://openalex.org/keywords/protein-data-bank","display_name":"Protein Data Bank","score":0.568122148513794},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.5404587388038635},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5287299156188965},{"id":"https://openalex.org/keywords/threading","display_name":"Threading (protein sequence)","score":0.49959778785705566},{"id":"https://openalex.org/keywords/protein-structure-database","display_name":"Protein structure database","score":0.49791884422302246},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.4847533404827118},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4805101156234741},{"id":"https://openalex.org/keywords/schema","display_name":"Schema (genetic algorithms)","score":0.4572891294956207},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.39661625027656555},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.3874209523200989},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.3499235510826111},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.3309406638145447},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.3215440511703491},{"id":"https://openalex.org/keywords/sequence-database","display_name":"Sequence database","score":0.19319850206375122},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.19043287634849548},{"id":"https://openalex.org/keywords/genetics","display_name":"Genetics","score":0.1568143665790558},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.10003530979156494}],"concepts":[{"id":"https://openalex.org/C65556437","wikidata":"https://www.wikidata.org/wiki/Q766195","display_name":"Protein Data Bank (RCSB PDB)","level":2,"score":0.704479455947876},{"id":"https://openalex.org/C154504017","wikidata":"https://www.wikidata.org/wiki/Q853614","display_name":"Identifier","level":2,"score":0.6129716634750366},{"id":"https://openalex.org/C119145174","wikidata":"https://www.wikidata.org/wiki/Q7251429","display_name":"Protein Data Bank","level":3,"score":0.568122148513794},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.5404587388038635},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5287299156188965},{"id":"https://openalex.org/C200307862","wikidata":"https://www.wikidata.org/wiki/Q7797175","display_name":"Threading (protein sequence)","level":3,"score":0.49959778785705566},{"id":"https://openalex.org/C136475424","wikidata":"https://www.wikidata.org/wiki/Q7251500","display_name":"Protein structure database","level":4,"score":0.49791884422302246},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.4847533404827118},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4805101156234741},{"id":"https://openalex.org/C52146309","wikidata":"https://www.wikidata.org/wiki/Q7431116","display_name":"Schema (genetic algorithms)","level":2,"score":0.4572891294956207},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.39661625027656555},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.3874209523200989},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.3499235510826111},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.3309406638145447},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.3215440511703491},{"id":"https://openalex.org/C41584329","wikidata":"https://www.wikidata.org/wiki/Q175902","display_name":"Sequence database","level":3,"score":0.19319850206375122},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.19043287634849548},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.1568143665790558},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.10003530979156494},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D001059","descriptor_name":"Apoproteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001059","descriptor_name":"Apoproteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001059","descriptor_name":"Apoproteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001059","descriptor_name":"Apoproteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001059","descriptor_name":"Apoproteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001059","descriptor_name":"Apoproteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":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":"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":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":true},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":true},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":true}],"locations_count":6,"locations":[{"id":"doi:10.1093/nar/gkm839","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkm839","pdf_url":"https://academic.oup.com/nar/article-pdf/36/suppl_1/D667/7630527/gkm839.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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},{"id":"pmid:17933762","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/17933762","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:CiteSeerX.psu:10.1.1.1029.5266","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.1029.5266","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/36/suppl_1/D667.full.pdf","raw_type":"text"},{"id":"pmh:oai:dipot.ulb.ac.be:2013/74191","is_oa":true,"landing_page_url":"http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/74191","pdf_url":null,"source":{"id":"https://openalex.org/S4306401063","display_name":"D\u00e9p\u00f4t institutionnel de l'Universit\u00e9 libre de Bruxelles (Universit\u00e9 Libre de Bruxelles)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I132053463","host_organization_name":"Universit\u00e9 Libre de Bruxelles","host_organization_lineage":["https://openalex.org/I132053463"],"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":"Nucleic acids research, 36","raw_type":"info:ulb-repo/semantics/openurl/article"},{"id":"pmh:oai:eprints.ucl.ac.uk.OAI2:65896","is_oa":false,"landing_page_url":"http://discovery.ucl.ac.uk/65896/","pdf_url":null,"source":{"id":"https://openalex.org/S4306400024","display_name":"UCL Discovery (University College London)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I45129253","host_organization_name":"University College London","host_organization_lineage":["https://openalex.org/I45129253"],"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 , 36    D667 - D673.   (2008)      ","raw_type":"Article"},{"id":"pmh:oai:pubmedcentral.nih.gov:2238865","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2238865","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Nucleic Acids Res","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/nar/gkm839","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkm839","pdf_url":"https://academic.oup.com/nar/article-pdf/36/suppl_1/D667/7630527/gkm839.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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320333067","display_name":"Sixth Framework Programme","ror":null}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2169434145.pdf","grobid_xml":"https://content.openalex.org/works/W2169434145.grobid-xml"},"referenced_works_count":30,"referenced_works":["https://openalex.org/W1600613454","https://openalex.org/W1964640688","https://openalex.org/W1977845138","https://openalex.org/W1979914800","https://openalex.org/W1981254997","https://openalex.org/W1989161865","https://openalex.org/W2007872355","https://openalex.org/W2015341379","https://openalex.org/W2028231353","https://openalex.org/W2043199972","https://openalex.org/W2044687262","https://openalex.org/W2055043387","https://openalex.org/W2062663912","https://openalex.org/W2078866107","https://openalex.org/W2080528351","https://openalex.org/W2081912151","https://openalex.org/W2091571247","https://openalex.org/W2103310202","https://openalex.org/W2115336138","https://openalex.org/W2124126888","https://openalex.org/W2128402268","https://openalex.org/W2130479394","https://openalex.org/W2132122858","https://openalex.org/W2133990057","https://openalex.org/W2138473864","https://openalex.org/W2145954121","https://openalex.org/W2151550848","https://openalex.org/W2153153865","https://openalex.org/W2171172158","https://openalex.org/W4236236547"],"related_works":["https://openalex.org/W88153857","https://openalex.org/W4388749535","https://openalex.org/W1979707045","https://openalex.org/W4285340733","https://openalex.org/W2419335570","https://openalex.org/W2121688928","https://openalex.org/W4375844720","https://openalex.org/W1973462822","https://openalex.org/W2044716310","https://openalex.org/W2113091268"],"abstract_inverted_index":{"Better":[0],"characterization":[1],"of":[2,34,53,59,65,142],"binding":[3,35,54,68,86],"sites":[4,36,55,69,87],"in":[5,37,56,70,98,124],"proteins":[6,38,58,71],"and":[7,15,78,115,137,167],"the":[8,85,101,106,125,143,156,176,186],"ability":[9],"to":[10,154,168],"accurately":[11],"predict":[12],"their":[13],"location":[14],"energetic":[16],"properties":[17],"are":[18,39,81],"major":[19],"challenges":[20],"which,":[21],"if":[22],"addressed,":[23],"would":[24],"have":[25],"many":[26],"valuable":[27],"practical":[28],"applications.":[29],"Unfortunately,":[30],"reliable":[31],"benchmark":[32],"datasets":[33,181],"still":[40],"sorely":[41],"lacking.":[42],"Here,":[43],"we":[44],"present":[45],"LigASite":[46,62,109],"('LIGand":[47],"Attachment":[48],"SITE'),":[49],"a":[50,135,138],"gold-standard":[51],"dataset":[52,144,157],"550":[57],"known":[60],"structures.":[61],"consists":[63],"exclusively":[64],"biologically":[66],"relevant":[67],"for":[72,88,170],"which":[73],"at":[74,147],"least":[75],"one":[76,79],"apo-":[77],"holo-structure":[80],"available.":[82],"In":[83],"defining":[84],"each":[89,99],"protein,":[90],"information":[91],"from":[92,185],"all":[93],"holo-structures":[94],"is":[95,110,116,145],"combined,":[96],"considering":[97],"case":[100],"quaternary":[102],"structure":[103],"defined":[104,174],"by":[105,158,175],"PQS":[107],"server.":[108],"built":[111],"using":[112],"simple":[113],"criteria":[114],"automatically":[117],"updated":[118],"as":[119,173,188],"new":[120],"structures":[121],"become":[122],"available":[123,146],"PDB,":[126],"thereby":[127],"guaranteeing":[128],"optimal":[129],"data":[130],"coverage":[131],"over":[132],"time.":[133],"Both":[134],"redundant":[136],"culled":[139],"non-redundant":[140],"version":[141],"http://www.scmbb.ulb.ac.be/Users/benoit/LigASite.":[148],"The":[149,180],"website":[150,187],"interface":[151],"allows":[152],"users":[153],"search":[155],"PDB":[159],"identifiers,":[160,162],"ligand":[161],"protein":[163],"names":[164],"or":[165,192],"sequence,":[166],"look":[169],"structural":[171],"matches":[172],"CATH":[177],"homologous":[178],"superfamilies.":[179],"can":[182],"be":[183],"downloaded":[184],"Schema-validated":[189],"XML":[190],"files":[191],"comma-separated":[193],"flat":[194],"files.":[195]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":5},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":10},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":15},{"year":2012,"cited_by_count":8}],"updated_date":"2026-04-05T17:49:38.594831","created_date":"2025-10-10T00:00:00"}