{"id":"https://openalex.org/W1896500248","doi":"https://doi.org/10.1186/1758-2946-5-s1-p16","title":"Efficient mining of protein kinase structural data","display_name":"Efficient mining of protein kinase structural data","publication_year":2013,"publication_date":"2013-03-01","ids":{"openalex":"https://openalex.org/W1896500248","doi":"https://doi.org/10.1186/1758-2946-5-s1-p16","mag":"1896500248"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-5-s1-p16","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-p16","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-5-S1-P16","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,"listed_in":["cwts-core","doaj","jufo-1","ki-jl-1","norway-1"],"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","license_id":"https://openalex.org/licenses/cc-by","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/counter/pdf/10.1186/1758-2946-5-S1-P16","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5085562872","display_name":"Stephen J. Maginn","orcid":"https://orcid.org/0000-0002-2032-7583","observed_orcids":["https://orcid.org/0000-0002-2032-7583"]},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Stephen Maginn","raw_affiliation_strings":["Chemical Computing Group, St Johns Innovation Centre, Cambridge, CB4 0WS, UK","Chemical Computing Group, St Johns Innovation Centre, Cambridge, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Computing Group, St Johns Innovation Centre, Cambridge, CB4 0WS, UK","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Chemical Computing Group, St Johns Innovation Centre, Cambridge, UK","institution_ids":["https://openalex.org/I241749"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103807912","display_name":"Andrew Henry","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Andrew Henry","raw_affiliation_strings":["Chemical Computing Group, St Johns Innovation Centre, Cambridge, CB4 0WS, UK","Chemical Computing Group, St Johns Innovation Centre, Cambridge, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Computing Group, St Johns Innovation Centre, Cambridge, CB4 0WS, UK","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Chemical Computing Group, St Johns Innovation Centre, Cambridge, UK","institution_ids":["https://openalex.org/I241749"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014765766","display_name":"Paul Labute","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Paul Labute","raw_affiliation_strings":["Chemical Computing Group, 1010 Sherbrooke Street West, Montr\u00e9al, Qu\u00e9bec, H3A 2R7, Canada","Chemical Computing Group, Montreal, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Computing Group, 1010 Sherbrooke Street West, Montr\u00e9al, Qu\u00e9bec, H3A 2R7, Canada","institution_ids":[]},{"raw_affiliation_string":"Chemical Computing Group, Montreal, Canada","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047440857","display_name":"Johannes Maier","orcid":"https://orcid.org/0000-0003-3682-2711","observed_orcids":["https://orcid.org/0000-0003-3682-2711"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Johannes Maier","raw_affiliation_strings":["Chemical Computing Group, 1010 Sherbrooke Street West, Montr\u00e9al, Qu\u00e9bec, H3A 2R7, Canada","Chemical Computing Group, Montreal, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Computing Group, 1010 Sherbrooke Street West, Montr\u00e9al, Qu\u00e9bec, H3A 2R7, Canada","institution_ids":[]},{"raw_affiliation_string":"Chemical Computing Group, Montreal, Canada","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5028120169","display_name":"Nels Thorsteinson","orcid":"https://orcid.org/0000-0001-8333-0045","observed_orcids":["https://orcid.org/0000-0001-8333-0045"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Nels Thorsteinson","raw_affiliation_strings":["Chemical Computing Group, 1010 Sherbrooke Street West, Montr\u00e9al, Qu\u00e9bec, H3A 2R7, Canada","Chemical Computing Group, Montreal, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Computing Group, 1010 Sherbrooke Street West, Montr\u00e9al, Qu\u00e9bec, H3A 2R7, Canada","institution_ids":[]},{"raw_affiliation_string":"Chemical Computing Group, Montreal, Canada","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5085562872"],"corresponding_institution_ids":["https://openalex.org/I241749"],"apc_list":{"value":2390,"currency":"USD","value_usd":2390},"apc_paid":{"value":2390,"currency":"USD","value_usd":2390},"fwci":0.3545,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.62070332,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"5","issue":"S1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.8862000107765198,"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":0.8862000107765198,"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/T11162","display_name":"Enzyme Structure and Function","score":0.05249999836087227,"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":0.04729999974370003,"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-kinases","display_name":"protein kinases","score":0.9919999837875366},{"id":"https://openalex.org/keywords/protein-structure-database","display_name":"protein structure database","score":0.550000011920929},{"id":"https://openalex.org/keywords/structural-alignment","display_name":"structural alignment","score":0.5709999799728394},{"id":"https://openalex.org/keywords/atp-binding-site","display_name":"ATP binding site","score":0.7149999737739563},{"id":"https://openalex.org/keywords/kinase-classification","display_name":"kinase classification","score":0.6330000162124634},{"id":"https://openalex.org/keywords/structure-superposition","display_name":"structure superposition","score":0.7710000276565552},{"id":"https://openalex.org/keywords/kinase-identification","display_name":"kinase identification","score":0.8389999866485596},{"id":"https://openalex.org/keywords/human-kinases","display_name":"human kinases","score":0.6710000038146973}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6460056304931641},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.5302267670631409},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.3649218678474426},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.339698851108551},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.11875960230827332}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1186/1758-2946-5-s1-p16","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-p16","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-5-S1-P16","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,"listed_in":["cwts-core","doaj","jufo-1","ki-jl-1","norway-1"],"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","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmh:oai:europepmc.org:2605500","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3606254","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,"listed_in":[],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"},{"id":"pmh:oai:pubmedcentral.nih.gov:3606254","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3606254","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,"listed_in":[],"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":"J Cheminform","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/1758-2946-5-s1-p16","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-p16","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-5-S1-P16","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,"listed_in":["cwts-core","doaj","jufo-1","ki-jl-1","norway-1"],"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","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1896500248.pdf","grobid_xml":"https://content.openalex.org/works/W1896500248.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2899084033","https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W2382290278","https://openalex.org/W2350741829","https://openalex.org/W2130043461","https://openalex.org/W2530322880"],"abstract_inverted_index":{"Here,":[0],"we":[1],"introduce":[2],"an":[3,28],"aligned":[4],"database":[5],"of":[6,44,52],"protein":[7,54],"kinase":[8,32],"structures":[9,45],"that":[10,37],"can":[11],"be":[12],"efficiently":[13],"explored":[14],"by":[15,19],"sequence,":[16],"structure,":[17],"or":[18,24],"ATP":[20],"pocket":[21],"ligand":[22],"(type":[23],"similarity).We":[25],"also":[26],"discuss":[27],"automated":[29],"protocol":[30],"for":[31],"identification,":[33],"classification":[34],"and":[35,46],"superposition":[36],"relies":[38],"on":[39],"a":[40],"curated":[41],"reference":[42],"set":[43],"sequences":[47],"covering":[48],"the":[49],"wide":[50],"variety":[51],"human":[53],"kinases.":[55]},"counts_by_year":[{"year":2016,"cited_by_count":1}],"updated_date":"2026-09-22T06:50:58.402377","created_date":"2025-10-10T00:00:00"}
