{"id":"https://openalex.org/W2064154425","doi":"https://doi.org/10.1371/journal.pcbi.1002043","title":"Combinations of Protein-Chemical Complex Structures Reveal New Targets for Established Drugs","display_name":"Combinations of Protein-Chemical Complex Structures Reveal New Targets for Established Drugs","publication_year":2011,"publication_date":"2011-05-05","ids":{"openalex":"https://openalex.org/W2064154425","doi":"https://doi.org/10.1371/journal.pcbi.1002043","mag":"2064154425","pmid":"https://pubmed.ncbi.nlm.nih.gov/21573205"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.1002043","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1002043","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1002043&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.1002043&type=printable","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101632496","display_name":"Olga V. Kalinina","orcid":"https://orcid.org/0000-0002-9445-477X"},"institutions":[{"id":"https://openalex.org/I223822909","display_name":"Heidelberg University","ror":"https://ror.org/038t36y30","country_code":"DE","type":"education","lineage":["https://openalex.org/I223822909"]},{"id":"https://openalex.org/I4210107660","display_name":"Institute for Information Transmission Problems","ror":"https://ror.org/013w2d378","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210097085","https://openalex.org/I4210107660"]}],"countries":["DE","RU"],"is_corresponding":false,"raw_author_name":"Olga V. Kalinina","raw_affiliation_strings":["Cell Networks, University of Heidelberg, Heidelberg, Germany","Institute for Information Transmission Problems, RAS, Moscow, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Cell Networks, University of Heidelberg, Heidelberg, Germany","institution_ids":["https://openalex.org/I223822909"]},{"raw_affiliation_string":"Institute for Information Transmission Problems, RAS, Moscow, Russia","institution_ids":["https://openalex.org/I4210107660"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022811480","display_name":"Oliver Wichmann","orcid":null},"institutions":[{"id":"https://openalex.org/I223822909","display_name":"Heidelberg University","ror":"https://ror.org/038t36y30","country_code":"DE","type":"education","lineage":["https://openalex.org/I223822909"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Oliver Wichmann","raw_affiliation_strings":["Cell Networks, University of Heidelberg, Heidelberg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Cell Networks, University of Heidelberg, Heidelberg, Germany","institution_ids":["https://openalex.org/I223822909"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037439081","display_name":"Gordana Apic","orcid":"https://orcid.org/0009-0003-4747-7594"},"institutions":[{"id":"https://openalex.org/I223822909","display_name":"Heidelberg University","ror":"https://ror.org/038t36y30","country_code":"DE","type":"education","lineage":["https://openalex.org/I223822909"]},{"id":"https://openalex.org/I21196054","display_name":"Wellcome/MRC Cambridge Stem Cell Institute","ror":"https://ror.org/05nz0zp31","country_code":"GB","type":"facility","lineage":["https://openalex.org/I21196054","https://openalex.org/I241749","https://openalex.org/I4210087105","https://openalex.org/I87048295","https://openalex.org/I90344618"]}],"countries":["DE","GB"],"is_corresponding":false,"raw_author_name":"Gordana Apic","raw_affiliation_strings":["Cambridge Cell Networks Ltd, St. John's Innovation Centre, Cambridge, United Kingdom","Cell Networks, University of Heidelberg, Heidelberg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Cambridge Cell Networks Ltd, St. John's Innovation Centre, Cambridge, United Kingdom","institution_ids":["https://openalex.org/I21196054"]},{"raw_affiliation_string":"Cell Networks, University of Heidelberg, Heidelberg, Germany","institution_ids":["https://openalex.org/I223822909"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5045103162","display_name":"Robert B. Russell","orcid":"https://orcid.org/0000-0002-7213-1398"},"institutions":[{"id":"https://openalex.org/I223822909","display_name":"Heidelberg University","ror":"https://ror.org/038t36y30","country_code":"DE","type":"education","lineage":["https://openalex.org/I223822909"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Robert B. Russell","raw_affiliation_strings":["Cell Networks, University of Heidelberg, Heidelberg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Cell Networks, University of Heidelberg, Heidelberg, Germany","institution_ids":["https://openalex.org/I223822909"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5045103162"],"corresponding_institution_ids":["https://openalex.org/I223822909"],"apc_list":{"value":2655,"currency":"USD","value_usd":2655},"apc_paid":{"value":2655,"currency":"USD","value_usd":2655},"fwci":4.2391,"has_fulltext":true,"cited_by_count":28,"citation_normalized_percentile":{"value":0.94445258,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"7","issue":"5","first_page":"e1002043","last_page":"e1002043"},"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/T10887","display_name":"Bioinformatics and Genomic Networks","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/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.980400025844574,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5900384187698364},{"id":"https://openalex.org/keywords/protein\u2013protein-interaction","display_name":"Protein\u2013protein interaction","score":0.49846363067626953},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.4633629024028778},{"id":"https://openalex.org/keywords/structural-biology","display_name":"Structural biology","score":0.4628561735153198},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.41311269998550415},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.41002732515335083},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.375976026058197},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3686489462852478},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.3673456311225891},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.2814299464225769},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2671579122543335},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.16221407055854797}],"concepts":[{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5900384187698364},{"id":"https://openalex.org/C11804247","wikidata":"https://www.wikidata.org/wiki/Q896177","display_name":"Protein\u2013protein interaction","level":2,"score":0.49846363067626953},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.4633629024028778},{"id":"https://openalex.org/C191120209","wikidata":"https://www.wikidata.org/wiki/Q908902","display_name":"Structural biology","level":2,"score":0.4628561735153198},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.41311269998550415},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.41002732515335083},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.375976026058197},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3686489462852478},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.3673456311225891},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.2814299464225769},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2671579122543335},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.16221407055854797}],"mesh":[{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","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":"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":"D011494","descriptor_name":"Protein Kinases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011494","descriptor_name":"Protein Kinases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011494","descriptor_name":"Protein Kinases","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":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","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},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051379","descriptor_name":"Mice","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051379","descriptor_name":"Mice","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051379","descriptor_name":"Mice","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054730","descriptor_name":"Protein Interaction Domains and Motifs","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054730","descriptor_name":"Protein Interaction Domains and Motifs","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054730","descriptor_name":"Protein Interaction Domains and Motifs","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":6,"locations":[{"id":"doi:10.1371/journal.pcbi.1002043","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1002043","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1002043&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:21573205","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/21573205","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:CiteSeerX.psu:10.1.1.782.3294","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.782.3294","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"ftp://ftp.ncbi.nlm.nih.gov/pub/pmc/5e/2c/pcbi.1002043.PMC3088657.pdf","raw_type":"text"},{"id":"pmh:oai:doaj.org/article:8decb5fc6c3e405382c75dc38ed97b86","is_oa":true,"landing_page_url":"https://doaj.org/article/8decb5fc6c3e405382c75dc38ed97b86","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"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 7, Iss 5, p e1002043 (2011)","raw_type":"article"},{"id":"pmh:oai:figshare.com:article/136989","is_oa":true,"landing_page_url":"https://figshare.com/articles/Combinations_of_Protein_Chemical_Complex_Structures_Reveal_New_Targets_for_Established_Drugs/136989","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"},{"id":"pmh:oai:pubmedcentral.nih.gov:3088657","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3088657","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"}],"best_oa_location":{"id":"doi:10.1371/journal.pcbi.1002043","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1002043","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1002043&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":[{"display_name":"Good health and well-being","score":0.46000000834465027,"id":"https://metadata.un.org/sdg/3"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320320879","display_name":"Deutsche Forschungsgemeinschaft","ror":"https://ror.org/018mejw64"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2064154425.pdf","grobid_xml":"https://content.openalex.org/works/W2064154425.grobid-xml"},"referenced_works_count":36,"referenced_works":["https://openalex.org/W1534270226","https://openalex.org/W1601234941","https://openalex.org/W1720927700","https://openalex.org/W1968682237","https://openalex.org/W1972821149","https://openalex.org/W1974156712","https://openalex.org/W1976359553","https://openalex.org/W1996453536","https://openalex.org/W2007287574","https://openalex.org/W2007667459","https://openalex.org/W2009313526","https://openalex.org/W2024662071","https://openalex.org/W2035766874","https://openalex.org/W2062120994","https://openalex.org/W2084367350","https://openalex.org/W2096864392","https://openalex.org/W2108069034","https://openalex.org/W2113654464","https://openalex.org/W2117197915","https://openalex.org/W2125904022","https://openalex.org/W2127553917","https://openalex.org/W2128653811","https://openalex.org/W2134196477","https://openalex.org/W2138512826","https://openalex.org/W2139385860","https://openalex.org/W2141885858","https://openalex.org/W2147054306","https://openalex.org/W2154896031","https://openalex.org/W2158479544","https://openalex.org/W2161062388","https://openalex.org/W2162011385","https://openalex.org/W2166458835","https://openalex.org/W4210623056","https://openalex.org/W4211000692","https://openalex.org/W4285719527","https://openalex.org/W4322696300"],"related_works":["https://openalex.org/W2043558654","https://openalex.org/W2165298019","https://openalex.org/W4225792090","https://openalex.org/W2161203845","https://openalex.org/W2090863707","https://openalex.org/W4385741417","https://openalex.org/W4285201319","https://openalex.org/W3175103087","https://openalex.org/W2133377333","https://openalex.org/W3146222941"],"abstract_inverted_index":{"Biological":[0],"networks":[1],"are":[2,105],"powerful":[3],"tools":[4],"for":[5],"predicting":[6],"undocumented":[7],"relationships":[8],"between":[9,18],"molecules.":[10],"The":[11,77,116],"underlying":[12],"principle":[13,31],"is":[14,122],"that":[15,91,124,129],"existing":[16],"interactions":[17,36,104],"molecules":[19],"can":[20],"be":[21,94,136],"used":[22],"to":[23,32,64],"predict":[24,65],"new":[25,34],"interactions.":[26],"Here":[27],"we":[28,52,87],"use":[29,53],"this":[30],"suggest":[33],"protein-chemical":[35],"via":[37],"the":[38,75],"network":[39],"derived":[40],"from":[41],"three-dimensional":[42],"structures.":[43],"For":[44],"pairs":[45],"of":[46,81,119,125],"proteins":[47],"sharing":[48],"a":[49,84,130],"common":[50],"ligand,":[51],"protein":[54,72],"and":[55,86,114,146],"chemical":[56],"superimpositions":[57],"combined":[58],"with":[59],"fast":[60],"structural":[61,132],"compatibility":[62],"screens":[63],"whether":[66],"additional":[67],"compounds":[68],"bound":[69],"by":[70,144],"one":[71],"would":[73,92],"bind":[74],"other.":[76],"method":[78],"reproduces":[79],"84%":[80],"complexes":[82],"in":[83],"benchmark,":[85],"make":[88],"many":[89],"predictions":[90,121],"not":[93],"possible":[95],"using":[96],"conventional":[97],"modeling":[98],"techniques.":[99],"Within":[100],"19,578":[101],"novel":[102],"predicted":[103],"7,793":[106],"involving":[107],"718":[108],"drugs,":[109],"including":[110],"filaminast,":[111],"coumarin,":[112],"alitretonin":[113],"erlotinib.":[115],"growth":[117],"rate":[118],"confident":[120],"twice":[123],"experimental":[126],"complexes,":[127],"meaning":[128],"complete":[131],"drug-protein":[133],"repertoire":[134],"will":[135],"available":[137],"at":[138],"least":[139],"ten":[140],"years":[141],"earlier":[142],"than":[143],"X-ray":[145],"NMR":[147],"techniques":[148],"alone.":[149]},"counts_by_year":[{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":6},{"year":2013,"cited_by_count":4}],"updated_date":"2026-05-04T08:30:34.212998","created_date":"2025-10-10T00:00:00"}
