{"id":"https://openalex.org/W1993554808","doi":"https://doi.org/10.1093/nar/gks496","title":"idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach","display_name":"idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach","publication_year":2012,"publication_date":"2012-05-30","ids":{"openalex":"https://openalex.org/W1993554808","doi":"https://doi.org/10.1093/nar/gks496","mag":"1993554808","pmid":"https://pubmed.ncbi.nlm.nih.gov/22649057"},"language":"en","primary_location":{"id":"doi:10.1093/nar/gks496","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gks496","pdf_url":"https://academic.oup.com/nar/article-pdf/40/W1/W393/18784394/gks496.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/W1/W393/18784394/gks496.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5049289620","display_name":"Jui-Chih Wang","orcid":null},"institutions":[{"id":"https://openalex.org/I16733864","display_name":"National Taiwan University","ror":"https://ror.org/05bqach95","country_code":"TW","type":"education","lineage":["https://openalex.org/I16733864"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Jui-Chih Wang","raw_affiliation_strings":["Institute of Biomedical Engineering, National Taiwan University, Taipei, Taiwan","National Taiwan University, Taipei, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Biomedical Engineering, National Taiwan University, Taipei, Taiwan","institution_ids":["https://openalex.org/I16733864"]},{"raw_affiliation_string":"National Taiwan University, Taipei, Taiwan","institution_ids":["https://openalex.org/I16733864"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110827593","display_name":"P.T. Chu","orcid":null},"institutions":[{"id":"https://openalex.org/I16733864","display_name":"National Taiwan University","ror":"https://ror.org/05bqach95","country_code":"TW","type":"education","lineage":["https://openalex.org/I16733864"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Pei-Ying Chu","raw_affiliation_strings":["National Taiwan University, Taipei, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Taiwan University, Taipei, Taiwan","institution_ids":["https://openalex.org/I16733864"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101981950","display_name":"Chung\u2010Ming Chen","orcid":"https://orcid.org/0000-0002-0023-5817"},"institutions":[{"id":"https://openalex.org/I16733864","display_name":"National Taiwan University","ror":"https://ror.org/05bqach95","country_code":"TW","type":"education","lineage":["https://openalex.org/I16733864"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Chung-Ming Chen","raw_affiliation_strings":["National Taiwan University, Taipei, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Taiwan University, Taipei, Taiwan","institution_ids":["https://openalex.org/I16733864"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5075779650","display_name":"Jung\u2010Hsin Lin","orcid":"https://orcid.org/0000-0002-6712-4994"},"institutions":[{"id":"https://openalex.org/I16733864","display_name":"National Taiwan University","ror":"https://ror.org/05bqach95","country_code":"TW","type":"education","lineage":["https://openalex.org/I16733864"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Jung-Hsin Lin","raw_affiliation_strings":["National Taiwan University, Taipei, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Taiwan University, Taipei, Taiwan","institution_ids":["https://openalex.org/I16733864"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I16733864"],"apc_list":{"value":3630,"currency":"USD","value_usd":3630},"apc_paid":{"value":3630,"currency":"USD","value_usd":3630},"fwci":9.7198,"has_fulltext":true,"cited_by_count":171,"citation_normalized_percentile":{"value":0.98597664,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":100},"biblio":{"volume":"40","issue":"W1","first_page":"W393","last_page":"W399"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":1.0,"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":1.0,"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":0.9966999888420105,"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/T12254","display_name":"Machine Learning in Bioinformatics","score":0.9818999767303467,"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/divide-and-conquer-algorithms","display_name":"Divide and conquer algorithms","score":0.8464834690093994},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.7991565465927124},{"id":"https://openalex.org/keywords/web-server","display_name":"Web server","score":0.7028940320014954},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.6097409129142761},{"id":"https://openalex.org/keywords/protein-data-bank","display_name":"Protein Data Bank","score":0.5726408362388611},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.5575107932090759},{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.5472694039344788},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5381181836128235},{"id":"https://openalex.org/keywords/protein-data-bank","display_name":"Protein Data Bank (RCSB PDB)","score":0.5190154314041138},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.48480477929115295},{"id":"https://openalex.org/keywords/protein\u2013ligand-docking","display_name":"Protein\u2013ligand docking","score":0.48004329204559326},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.4231460690498352},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.3270717263221741},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.32388073205947876},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.30237963795661926},{"id":"https://openalex.org/keywords/the-internet","display_name":"The Internet","score":0.274505615234375},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.27121514081954956},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.24216538667678833},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.13244611024856567},{"id":"https://openalex.org/keywords/genetics","display_name":"Genetics","score":0.12326976656913757},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.08215674757957458}],"concepts":[{"id":"https://openalex.org/C71559656","wikidata":"https://www.wikidata.org/wiki/Q671298","display_name":"Divide and conquer algorithms","level":2,"score":0.8464834690093994},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.7991565465927124},{"id":"https://openalex.org/C11392498","wikidata":"https://www.wikidata.org/wiki/Q11288","display_name":"Web server","level":3,"score":0.7028940320014954},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.6097409129142761},{"id":"https://openalex.org/C119145174","wikidata":"https://www.wikidata.org/wiki/Q7251429","display_name":"Protein Data Bank","level":3,"score":0.5726408362388611},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.5575107932090759},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.5472694039344788},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5381181836128235},{"id":"https://openalex.org/C65556437","wikidata":"https://www.wikidata.org/wiki/Q766195","display_name":"Protein Data Bank (RCSB PDB)","level":2,"score":0.5190154314041138},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.48480477929115295},{"id":"https://openalex.org/C77319485","wikidata":"https://www.wikidata.org/wiki/Q7251520","display_name":"Protein\u2013ligand docking","level":4,"score":0.48004329204559326},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4231460690498352},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.3270717263221741},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.32388073205947876},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.30237963795661926},{"id":"https://openalex.org/C110875604","wikidata":"https://www.wikidata.org/wiki/Q75","display_name":"The Internet","level":2,"score":0.274505615234375},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.27121514081954956},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.24216538667678833},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.13244611024856567},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.12326976656913757},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.08215674757957458},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D000069454","descriptor_name":"Darunavir","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069454","descriptor_name":"Darunavir","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069454","descriptor_name":"Darunavir","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007211","descriptor_name":"Indoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007211","descriptor_name":"Indoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007211","descriptor_name":"Indoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D008958","descriptor_name":"Models, Molecular","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":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010091","descriptor_name":"Oximes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010091","descriptor_name":"Oximes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010091","descriptor_name":"Oximes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","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":true},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013449","descriptor_name":"Sulfonamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013449","descriptor_name":"Sulfonamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013449","descriptor_name":"Sulfonamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017320","descriptor_name":"HIV Protease Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017320","descriptor_name":"HIV Protease Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017320","descriptor_name":"HIV Protease Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D056572","descriptor_name":"Histone Deacetylase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D056572","descriptor_name":"Histone Deacetylase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D056572","descriptor_name":"Histone Deacetylase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1093/nar/gks496","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gks496","pdf_url":"https://academic.oup.com/nar/article-pdf/40/W1/W393/18784394/gks496.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:22649057","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22649057","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:europepmc.org:2409770","is_oa":false,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3394295","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"},{"id":"pmh:oai:open-archive.highwire.org:nar:40/W1/W393","is_oa":false,"landing_page_url":"http://nar.oxfordjournals.org/cgi/content/short/40/W1/W393","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/gks496","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gks496","pdf_url":"https://academic.oup.com/nar/article-pdf/40/W1/W393/18784394/gks496.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":[],"funders":[{"id":"https://openalex.org/F4320321040","display_name":"National Science Council","ror":"https://ror.org/02kv4zf79"},{"id":"https://openalex.org/F4320321041","display_name":"Academia Sinica","ror":"https://ror.org/05bxb3784"},{"id":"https://openalex.org/F4320321133","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35"},{"id":"https://openalex.org/F4320335654","display_name":"Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences","ror":"https://ror.org/01y3hvq34"}],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1993554808.pdf"},"referenced_works_count":40,"referenced_works":["https://openalex.org/W1515333288","https://openalex.org/W1579594936","https://openalex.org/W1971223189","https://openalex.org/W1972148009","https://openalex.org/W1975166891","https://openalex.org/W1976161355","https://openalex.org/W1977056833","https://openalex.org/W1979914800","https://openalex.org/W1986948589","https://openalex.org/W1993403967","https://openalex.org/W2001527591","https://openalex.org/W2004424444","https://openalex.org/W2009297402","https://openalex.org/W2016103819","https://openalex.org/W2018408116","https://openalex.org/W2023170820","https://openalex.org/W2023770186","https://openalex.org/W2035491907","https://openalex.org/W2037535298","https://openalex.org/W2052201526","https://openalex.org/W2056810821","https://openalex.org/W2071527401","https://openalex.org/W2072683434","https://openalex.org/W2074978477","https://openalex.org/W2078653892","https://openalex.org/W2082252201","https://openalex.org/W2082899043","https://openalex.org/W2097606916","https://openalex.org/W2119470100","https://openalex.org/W2123000764","https://openalex.org/W2127866370","https://openalex.org/W2138512826","https://openalex.org/W2144879169","https://openalex.org/W2145126338","https://openalex.org/W2152326664","https://openalex.org/W2157393167","https://openalex.org/W2162436128","https://openalex.org/W2165526004","https://openalex.org/W2169678694","https://openalex.org/W3175318380"],"related_works":["https://openalex.org/W2088162897","https://openalex.org/W2020669016","https://openalex.org/W2090630809","https://openalex.org/W4387804157","https://openalex.org/W2106612397","https://openalex.org/W2518314460","https://openalex.org/W2401430279","https://openalex.org/W2119891507","https://openalex.org/W2089869950","https://openalex.org/W585106548"],"abstract_inverted_index":{"Identification":[0],"of":[1,5,18,39,69,80,111,117,143],"possible":[2,36],"protein":[3,71,124],"targets":[4,38,72,112,152],"small":[6,41,89],"chemical":[7,42,64],"molecules":[8],"is":[9,137,160],"an":[10],"important":[11],"step":[12],"for":[13,156],"unravelling":[14],"their":[15],"underlying":[16],"causes":[17],"actions":[19],"at":[20,167],"the":[21,70,77,94,128,149],"molecular":[22],"level.":[23],"To":[24],"this":[25],"end,":[26],"we":[27],"construct":[28],"a":[29,40,45,108,114,164],"web":[30],"server,":[31],"idTarget,":[32],"which":[33],"can":[34],"predict":[35],"binding":[37],"molecule":[43],"via":[44],"divide-and-conquer":[46,83],"docking":[47,84,100],"approach,":[48],"in":[49,127],"combination":[50],"with":[51],"our":[52],"recently":[53],"developed":[54],"scoring":[55],"functions":[56],"based":[57],"on":[58],"robust":[59],"regression":[60],"analysis":[61],"and":[62,148],"quantum":[63],"charge":[65],"models.":[66],"Affinity":[67],"profiles":[68],"are":[73],"used":[74],"to":[75,92,139],"provide":[76],"confidence":[78],"levels":[79],"prediction.":[81],"The":[82],"approach":[85],"uses":[86],"adaptively":[87],"constructed":[88],"overlapping":[90],"grids":[91],"constrain":[93],"searching":[95],"space,":[96],"thereby":[97],"achieving":[98],"better":[99],"efficiency.":[101],"Unlike":[102],"previous":[103],"approaches":[104],"that":[105,135],"screen":[106,120],"against":[107,121],"specific":[109],"class":[110],"or":[113,145],"limited":[115],"number":[116],"targets,":[118],"idTarget":[119,136,159],"nearly":[122],"all":[123],"structures":[125],"deposited":[126],"Protein":[129],"Data":[130],"Bank":[131],"(PDB).":[132],"We":[133],"show":[134],"able":[138],"reproduce":[140],"known":[141],"off-targets":[142],"drugs":[144],"drug-like":[146],"compounds,":[147],"suggested":[150],"new":[151],"could":[153],"be":[154],"prioritized":[155],"further":[157],"investigation.":[158],"freely":[161],"available":[162],"as":[163],"web-based":[165],"server":[166],"http://idtarget.rcas.sinica.edu.tw.":[168]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":8},{"year":2023,"cited_by_count":10},{"year":2022,"cited_by_count":18},{"year":2021,"cited_by_count":20},{"year":2020,"cited_by_count":14},{"year":2019,"cited_by_count":22},{"year":2018,"cited_by_count":15},{"year":2017,"cited_by_count":14},{"year":2016,"cited_by_count":11},{"year":2015,"cited_by_count":9},{"year":2014,"cited_by_count":10},{"year":2013,"cited_by_count":7},{"year":2012,"cited_by_count":2}],"updated_date":"2026-06-26T08:34:08.712188","created_date":"2025-10-10T00:00:00"}
