{"id":"https://openalex.org/W2065289845","doi":"https://doi.org/10.1145/2506583.2506704","title":"Improving the Prediction of Kinase Binding Affinity Using Homology Models","display_name":"Improving the Prediction of Kinase Binding Affinity Using Homology Models","publication_year":2013,"publication_date":"2013-09-22","ids":{"openalex":"https://openalex.org/W2065289845","doi":"https://doi.org/10.1145/2506583.2506704","mag":"2065289845"},"language":"en","primary_location":{"id":"doi:10.1145/2506583.2506704","is_oa":false,"landing_page_url":"https://doi.org/10.1145/2506583.2506704","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the International Conference on Bioinformatics, Computational Biology and Biomedical Informatics","raw_type":"proceedings-article"},"type":"conference-paper","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5034304219","display_name":"Jeffrey Chyan","orcid":null},"institutions":[{"id":"https://openalex.org/I74775410","display_name":"Rice University","ror":"https://ror.org/008zs3103","country_code":"US","type":"education","lineage":["https://openalex.org/I74775410"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jeffrey Chyan","raw_affiliation_strings":["Rice University, Dept. of Computer Science, MS132, PO Box 1892, Houston, TX 77251","Rice University, Dept. of Computer Science, MS132, PO Box 1892, Houston, TX 77251#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rice University, Dept. of Computer Science, MS132, PO Box 1892, Houston, TX 77251","institution_ids":["https://openalex.org/I74775410"]},{"raw_affiliation_string":"Rice University, Dept. of Computer Science, MS132, PO Box 1892, Houston, TX 77251#TAB#","institution_ids":["https://openalex.org/I74775410"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061397940","display_name":"Mark Moll","orcid":"https://orcid.org/0000-0002-0451-2797"},"institutions":[{"id":"https://openalex.org/I74775410","display_name":"Rice University","ror":"https://ror.org/008zs3103","country_code":"US","type":"education","lineage":["https://openalex.org/I74775410"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Mark Moll","raw_affiliation_strings":["Rice University, Dept. of Computer Science, MS132, PO Box 1892, Houston, TX 77251","Rice University, Dept. of Computer Science, MS132, PO Box 1892, Houston, TX 77251#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rice University, Dept. of Computer Science, MS132, PO Box 1892, Houston, TX 77251","institution_ids":["https://openalex.org/I74775410"]},{"raw_affiliation_string":"Rice University, Dept. of Computer Science, MS132, PO Box 1892, Houston, TX 77251#TAB#","institution_ids":["https://openalex.org/I74775410"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5067205988","display_name":"Lydia E. Kavraki","orcid":"https://orcid.org/0000-0003-0699-8038"},"institutions":[{"id":"https://openalex.org/I74775410","display_name":"Rice University","ror":"https://ror.org/008zs3103","country_code":"US","type":"education","lineage":["https://openalex.org/I74775410"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Lydia E. Kavraki","raw_affiliation_strings":["Rice University, Dept. of Computer Science, MS132, PO Box 1892, Houston, TX 77251","Rice University, Dept. of Computer Science, MS132, PO Box 1892, Houston, TX 77251#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rice University, Dept. of Computer Science, MS132, PO Box 1892, Houston, TX 77251","institution_ids":["https://openalex.org/I74775410"]},{"raw_affiliation_string":"Rice University, Dept. of Computer Science, MS132, PO Box 1892, Houston, TX 77251#TAB#","institution_ids":["https://openalex.org/I74775410"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I74775410"],"apc_list":null,"apc_paid":null,"fwci":0.5459,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.58680858,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":null,"issue":null,"first_page":"741","last_page":"748"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9997000098228455,"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":0.9997000098228455,"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":0.993399977684021,"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/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.9915000200271606,"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/kinome","display_name":"Kinome","score":0.9636894464492798},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.6360613107681274},{"id":"https://openalex.org/keywords/kinase","display_name":"Kinase","score":0.630163848400116},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5297936797142029},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.48206573724746704},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.28387153148651123},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.26175457239151},{"id":"https://openalex.org/keywords/cell-biology","display_name":"Cell biology","score":0.24574041366577148}],"concepts":[{"id":"https://openalex.org/C54174078","wikidata":"https://www.wikidata.org/wiki/Q3197188","display_name":"Kinome","level":3,"score":0.9636894464492798},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.6360613107681274},{"id":"https://openalex.org/C184235292","wikidata":"https://www.wikidata.org/wiki/Q421851","display_name":"Kinase","level":2,"score":0.630163848400116},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5297936797142029},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.48206573724746704},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.28387153148651123},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.26175457239151},{"id":"https://openalex.org/C95444343","wikidata":"https://www.wikidata.org/wiki/Q7141","display_name":"Cell biology","level":1,"score":0.24574041366577148}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1145/2506583.2506704","is_oa":false,"landing_page_url":"https://doi.org/10.1145/2506583.2506704","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the International Conference on Bioinformatics, Computational Biology and Biomedical Informatics","raw_type":"proceedings-article"},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.413.1355","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.413.1355","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://www.cs.rice.edu/~mmoll/publications/chyan2013improving-the-prediction-of-kinase-binding.pdf","raw_type":"text"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.699999988079071,"display_name":"Good health and well-being"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":27,"referenced_works":["https://openalex.org/W46667506","https://openalex.org/W1607931568","https://openalex.org/W1966285532","https://openalex.org/W1966680504","https://openalex.org/W1984502291","https://openalex.org/W2006436808","https://openalex.org/W2019523557","https://openalex.org/W2030205108","https://openalex.org/W2037312364","https://openalex.org/W2079398727","https://openalex.org/W2082115790","https://openalex.org/W2082287671","https://openalex.org/W2088527071","https://openalex.org/W2100772783","https://openalex.org/W2103017472","https://openalex.org/W2112878061","https://openalex.org/W2118200955","https://openalex.org/W2122172227","https://openalex.org/W2130253098","https://openalex.org/W2131736388","https://openalex.org/W2138778824","https://openalex.org/W2141885858","https://openalex.org/W2156328030","https://openalex.org/W2163333444","https://openalex.org/W2168770860","https://openalex.org/W4211196614","https://openalex.org/W4320301318"],"related_works":["https://openalex.org/W2991424847","https://openalex.org/W3043167921","https://openalex.org/W3088289817","https://openalex.org/W3125335171","https://openalex.org/W2925167008","https://openalex.org/W1989116199","https://openalex.org/W4296741799","https://openalex.org/W2948125847","https://openalex.org/W2167618007","https://openalex.org/W2608811481"],"abstract_inverted_index":{"Kinases":[0],"are":[1],"a":[2,13,48,52],"class":[3],"of":[4,18,44],"proteins":[5],"very":[6],"important":[7],"to":[8,60],"drug":[9,29,64],"design;":[10],"they":[11],"play":[12],"pivotal":[14],"role":[15],"in":[16,23,37,62],"many":[17,28],"the":[19,24,38],"cell":[20],"signaling":[21],"pathways":[22],"human":[25,39],"body.":[26],"Thus,":[27],"design":[30,65],"studies":[31],"involve":[32],"finding":[33],"inhibitors":[34,43],"for":[35],"kinases":[36],"kinome.":[40],"However,":[41],"identifying":[42],"high":[45],"selectivity":[46],"is":[47],"difficult":[49],"task.":[50],"As":[51],"result,":[53],"computational":[54],"prediction":[55],"methods":[56],"have":[57],"been":[58],"developed":[59],"aid":[61],"this":[63],"problem.":[66]},"counts_by_year":[{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1}],"updated_date":"2026-08-26T07:47:46.906454","created_date":"2025-10-10T00:00:00"}