{"id":"https://openalex.org/W2172118417","doi":"https://doi.org/10.1186/1758-2946-2-s1-o17","title":"Integration of chemical information with protein sequences and 3D structures","display_name":"Integration of chemical information with protein sequences and 3D structures","publication_year":2010,"publication_date":"2010-05-01","ids":{"openalex":"https://openalex.org/W2172118417","doi":"https://doi.org/10.1186/1758-2946-2-s1-o17","mag":"2172118417"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-2-s1-o17","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-2-s1-o17","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-2-S1-O17","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"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":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-2-S1-O17","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5051143114","display_name":"Adel Golovin","orcid":null},"institutions":[{"id":"https://openalex.org/I1303153112","display_name":"European Bioinformatics Institute","ror":"https://ror.org/02catss52","country_code":"GB","type":"facility","lineage":["https://openalex.org/I1303153112","https://openalex.org/I4210138560"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Adel Golovin","raw_affiliation_strings":["EMBL-EBI/PDBe, Hinxton Hall, Genome Campus, Cambridge, Cams, CB10 1SD, UK","EMBL-EBI/PDBe, Cambridge, Cams, UK"],"affiliations":[{"raw_affiliation_string":"EMBL-EBI/PDBe, Hinxton Hall, Genome Campus, Cambridge, Cams, CB10 1SD, UK","institution_ids":["https://openalex.org/I1303153112"]},{"raw_affiliation_string":"EMBL-EBI/PDBe, Cambridge, Cams, UK","institution_ids":["https://openalex.org/I1303153112"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108510436","display_name":"K. Henrick","orcid":null},"institutions":[{"id":"https://openalex.org/I1303153112","display_name":"European Bioinformatics Institute","ror":"https://ror.org/02catss52","country_code":"GB","type":"facility","lineage":["https://openalex.org/I1303153112","https://openalex.org/I4210138560"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"K Henrick","raw_affiliation_strings":["EMBL-EBI/PDBe, Hinxton Hall, Genome Campus, Cambridge, Cams, CB10 1SD, UK","EMBL-EBI/PDBe, Cambridge, Cams, UK"],"affiliations":[{"raw_affiliation_string":"EMBL-EBI/PDBe, Hinxton Hall, Genome Campus, Cambridge, Cams, CB10 1SD, UK","institution_ids":["https://openalex.org/I1303153112"]},{"raw_affiliation_string":"EMBL-EBI/PDBe, Cambridge, Cams, UK","institution_ids":["https://openalex.org/I1303153112"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5063402771","display_name":"Gerard J. Kleywegt","orcid":"https://orcid.org/0000-0002-4670-0331"},"institutions":[{"id":"https://openalex.org/I1303153112","display_name":"European Bioinformatics Institute","ror":"https://ror.org/02catss52","country_code":"GB","type":"facility","lineage":["https://openalex.org/I1303153112","https://openalex.org/I4210138560"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"G Kleywegt","raw_affiliation_strings":["EMBL-EBI/PDBe, Hinxton Hall, Genome Campus, Cambridge, Cams, CB10 1SD, UK","EMBL-EBI/PDBe, Cambridge, Cams, UK"],"affiliations":[{"raw_affiliation_string":"EMBL-EBI/PDBe, Hinxton Hall, Genome Campus, Cambridge, Cams, CB10 1SD, UK","institution_ids":["https://openalex.org/I1303153112"]},{"raw_affiliation_string":"EMBL-EBI/PDBe, Cambridge, Cams, UK","institution_ids":["https://openalex.org/I1303153112"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5051143114"],"corresponding_institution_ids":["https://openalex.org/I1303153112"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":0.0,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.14577337,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"2","issue":"S1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.9969000220298767,"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"}},"topics":[{"id":"https://openalex.org/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.9969000220298767,"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"}},{"id":"https://openalex.org/T10932","display_name":"Microbial Metabolic Engineering and Bioproduction","score":0.9969000220298767,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9958999752998352,"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","score":0.7619734406471252},{"id":"https://openalex.org/keywords/protein-data-bank","display_name":"Protein Data Bank (RCSB PDB)","score":0.6863915920257568},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6601043343544006},{"id":"https://openalex.org/keywords/planarity-testing","display_name":"Planarity testing","score":0.4997689723968506},{"id":"https://openalex.org/keywords/relational-database","display_name":"Relational database","score":0.45515555143356323},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.4465923011302948},{"id":"https://openalex.org/keywords/data-bank","display_name":"Data bank","score":0.4122784733772278},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.39367911219596863},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3805181682109833},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.32889097929000854},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2832339406013489},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.24521204829216003},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.17805680632591248},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.1334032416343689}],"concepts":[{"id":"https://openalex.org/C119145174","wikidata":"https://www.wikidata.org/wiki/Q7251429","display_name":"Protein Data Bank","level":3,"score":0.7619734406471252},{"id":"https://openalex.org/C65556437","wikidata":"https://www.wikidata.org/wiki/Q766195","display_name":"Protein Data Bank (RCSB PDB)","level":2,"score":0.6863915920257568},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6601043343544006},{"id":"https://openalex.org/C68260962","wikidata":"https://www.wikidata.org/wiki/Q7200967","display_name":"Planarity testing","level":2,"score":0.4997689723968506},{"id":"https://openalex.org/C5655090","wikidata":"https://www.wikidata.org/wiki/Q192588","display_name":"Relational database","level":2,"score":0.45515555143356323},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.4465923011302948},{"id":"https://openalex.org/C2779786304","wikidata":"https://www.wikidata.org/wiki/Q5227243","display_name":"Data bank","level":2,"score":0.4122784733772278},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.39367911219596863},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3805181682109833},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.32889097929000854},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2832339406013489},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.24521204829216003},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.17805680632591248},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.1334032416343689},{"id":"https://openalex.org/C76155785","wikidata":"https://www.wikidata.org/wiki/Q418","display_name":"Telecommunications","level":1,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1186/1758-2946-2-s1-o17","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-2-s1-o17","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-2-S1-O17","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"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":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:a9e4bba6cb584f6892762cef0e705e6f","is_oa":true,"landing_page_url":"https://doaj.org/article/a9e4bba6cb584f6892762cef0e705e6f","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":"Journal of Cheminformatics, Vol 2, Iss Suppl 1, p O17 (2010)","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:2867125","is_oa":true,"landing_page_url":"http://doi.org/10.1186/1758-2946-2-S1-O17","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":"J Cheminform","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/1758-2946-2-s1-o17","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-2-s1-o17","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-2-S1-O17","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"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":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2172118417.pdf","grobid_xml":"https://content.openalex.org/works/W2172118417.grobid-xml"},"referenced_works_count":4,"referenced_works":["https://openalex.org/W2027162181","https://openalex.org/W2072287929","https://openalex.org/W2141773967","https://openalex.org/W2165739018"],"related_works":["https://openalex.org/W4254578499","https://openalex.org/W2119891507","https://openalex.org/W2088162897","https://openalex.org/W4323965882","https://openalex.org/W2089869950","https://openalex.org/W2067836881","https://openalex.org/W2884564443","https://openalex.org/W1645310797","https://openalex.org/W2130479394","https://openalex.org/W2147809382"],"abstract_inverted_index":null,"counts_by_year":[{"year":2020,"cited_by_count":1}],"updated_date":"2026-03-05T09:29:38.588285","created_date":"2016-06-24T00:00:00"}
