{"id":"https://openalex.org/W4411490542","doi":"https://doi.org/10.1145/3732775.3733588","title":"In-Silico Predictions of Drug Resistance in Lung Cancers with EGFR Mutation","display_name":"In-Silico Predictions of Drug Resistance in Lung Cancers with EGFR Mutation","publication_year":2025,"publication_date":"2025-06-16","ids":{"openalex":"https://openalex.org/W4411490542","doi":"https://doi.org/10.1145/3732775.3733588","pmid":"https://pubmed.ncbi.nlm.nih.gov/41669100"},"language":"en","primary_location":{"id":"doi:10.1145/3732775.3733588","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3732775.3733588","pdf_url":null,"source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the Platform for Advanced Scientific Computing Conference","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1145/3732775.3733588","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5007850853","display_name":"Ibrahim A. Imam","orcid":"https://orcid.org/0009-0001-7592-4940"},"institutions":[{"id":"https://openalex.org/I143302722","display_name":"University of Kentucky","ror":"https://ror.org/02k3smh20","country_code":"US","type":"education","lineage":["https://openalex.org/I143302722"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ibrahim Imam","raw_affiliation_strings":["University of Kentucky, Lexington, USA"],"raw_orcid":"https://orcid.org/0009-0001-7592-4940","affiliations":[{"raw_affiliation_string":"University of Kentucky, Lexington, USA","institution_ids":["https://openalex.org/I143302722"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5039988690","display_name":"Usman L. Abbas","orcid":"https://orcid.org/0000-0002-2752-4379"},"institutions":[{"id":"https://openalex.org/I143302722","display_name":"University of Kentucky","ror":"https://ror.org/02k3smh20","country_code":"US","type":"education","lineage":["https://openalex.org/I143302722"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Usman Abbas","raw_affiliation_strings":["University of Kentucky, Lexington, USA"],"raw_orcid":"https://orcid.org/0000-0002-2752-4379","affiliations":[{"raw_affiliation_string":"University of Kentucky, Lexington, USA","institution_ids":["https://openalex.org/I143302722"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Christian Gosser","orcid":"https://orcid.org/0009-0007-9418-9949"},"institutions":[{"id":"https://openalex.org/I143302722","display_name":"University of Kentucky","ror":"https://ror.org/02k3smh20","country_code":"US","type":"education","lineage":["https://openalex.org/I143302722"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Christian Gosser","raw_affiliation_strings":["University of Kentucky, Lexington, USA"],"raw_orcid":"https://orcid.org/0009-0007-9418-9949","affiliations":[{"raw_affiliation_string":"University of Kentucky, Lexington, USA","institution_ids":["https://openalex.org/I143302722"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029676790","display_name":"Christine F. Brainson","orcid":"https://orcid.org/0000-0002-0854-5043"},"institutions":[{"id":"https://openalex.org/I143302722","display_name":"University of Kentucky","ror":"https://ror.org/02k3smh20","country_code":"US","type":"education","lineage":["https://openalex.org/I143302722"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Christine Brainson","raw_affiliation_strings":["University of Kentucky, Lexington, USA"],"raw_orcid":"https://orcid.org/0000-0002-0854-5043","affiliations":[{"raw_affiliation_string":"University of Kentucky, Lexington, USA","institution_ids":["https://openalex.org/I143302722"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034688782","display_name":"Wibe A. de Jong","orcid":"https://orcid.org/0000-0002-7114-8315"},"institutions":[{"id":"https://openalex.org/I148283060","display_name":"Lawrence Berkeley National Laboratory","ror":"https://ror.org/02jbv0t02","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I148283060","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Wibe de Jong","raw_affiliation_strings":["Lawrence Berkeley National Laboratory, Berkeley, USA"],"raw_orcid":"https://orcid.org/0000-0002-7114-8315","affiliations":[{"raw_affiliation_string":"Lawrence Berkeley National Laboratory, Berkeley, USA","institution_ids":["https://openalex.org/I148283060"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100740690","display_name":"Xiaoqi Liu","orcid":"https://orcid.org/0000-0002-6613-1746"},"institutions":[{"id":"https://openalex.org/I143302722","display_name":"University of Kentucky","ror":"https://ror.org/02k3smh20","country_code":"US","type":"education","lineage":["https://openalex.org/I143302722"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Xiaoqi Liu","raw_affiliation_strings":["University of Kentucky, Lexington, USA"],"raw_orcid":"https://orcid.org/0000-0002-6613-1746","affiliations":[{"raw_affiliation_string":"University of Kentucky, Lexington, USA","institution_ids":["https://openalex.org/I143302722"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040212698","display_name":"Hunter Moseley","orcid":"https://orcid.org/0000-0003-3995-5368"},"institutions":[{"id":"https://openalex.org/I143302722","display_name":"University of Kentucky","ror":"https://ror.org/02k3smh20","country_code":"US","type":"education","lineage":["https://openalex.org/I143302722"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Hunter Moseley","raw_affiliation_strings":["University of Kentucky, Lexington, USA"],"raw_orcid":"https://orcid.org/0000-0003-3995-5368","affiliations":[{"raw_affiliation_string":"University of Kentucky, Lexington, USA","institution_ids":["https://openalex.org/I143302722"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069728983","display_name":"Qing Shao","orcid":"https://orcid.org/0000-0001-9433-1131"},"institutions":[{"id":"https://openalex.org/I143302722","display_name":"University of Kentucky","ror":"https://ror.org/02k3smh20","country_code":"US","type":"education","lineage":["https://openalex.org/I143302722"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Shao Qing","raw_affiliation_strings":["University of Kentucky, Lexington, USA"],"raw_orcid":"https://orcid.org/0000-0001-9433-1131","affiliations":[{"raw_affiliation_string":"University of Kentucky, Lexington, USA","institution_ids":["https://openalex.org/I143302722"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5070696322","display_name":"Shulin Zhang","orcid":"https://orcid.org/0000-0003-2118-2475"},"institutions":[{"id":"https://openalex.org/I143302722","display_name":"University of Kentucky","ror":"https://ror.org/02k3smh20","country_code":"US","type":"education","lineage":["https://openalex.org/I143302722"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Shulin Zhang","raw_affiliation_strings":["University of Kentucky, Lexington, USA"],"raw_orcid":"https://orcid.org/0000-0003-2118-2475","affiliations":[{"raw_affiliation_string":"University of Kentucky, Lexington, USA","institution_ids":["https://openalex.org/I143302722"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5105167216","display_name":"Ralph Zinner","orcid":"https://orcid.org/0009-0009-6812-5540"},"institutions":[{"id":"https://openalex.org/I143302722","display_name":"University of Kentucky","ror":"https://ror.org/02k3smh20","country_code":"US","type":"education","lineage":["https://openalex.org/I143302722"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ralph Zinner","raw_affiliation_strings":["University of Kentucky, Lexington, USA"],"raw_orcid":"https://orcid.org/0009-0009-6812-5540","affiliations":[{"raw_affiliation_string":"University of Kentucky, Lexington, USA","institution_ids":["https://openalex.org/I143302722"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5048121967","display_name":"Sally R. Ellingson","orcid":"https://orcid.org/0009-0004-3527-4041"},"institutions":[{"id":"https://openalex.org/I143302722","display_name":"University of Kentucky","ror":"https://ror.org/02k3smh20","country_code":"US","type":"education","lineage":["https://openalex.org/I143302722"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Sally Ellingson","raw_affiliation_strings":["University of Kentucky, Lexington, USA"],"raw_orcid":"https://orcid.org/0009-0004-3527-4041","affiliations":[{"raw_affiliation_string":"University of Kentucky, Lexington, USA","institution_ids":["https://openalex.org/I143302722"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":11,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":1.0627,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.77370062,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":98},"biblio":{"volume":"2025","issue":null,"first_page":"1","last_page":"9"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10417","display_name":"Lung Cancer Treatments and Mutations","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/2740","display_name":"Pulmonary and Respiratory Medicine"},"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/T10417","display_name":"Lung Cancer Treatments and Mutations","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/2740","display_name":"Pulmonary and Respiratory Medicine"},"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9902999997138977,"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/T11482","display_name":"RNA modifications and cancer","score":0.9901999831199646,"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/in-silico","display_name":"In silico","score":0.7751308679580688},{"id":"https://openalex.org/keywords/mutation","display_name":"Mutation","score":0.5778422355651855},{"id":"https://openalex.org/keywords/drug-resistance","display_name":"Drug resistance","score":0.5519440174102783},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.5295534729957581},{"id":"https://openalex.org/keywords/cancer-research","display_name":"Cancer research","score":0.4306016266345978},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.42619240283966064},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.3084259629249573},{"id":"https://openalex.org/keywords/genetics","display_name":"Genetics","score":0.28341150283813477},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.27996230125427246},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.1710774004459381},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.10376423597335815}],"concepts":[{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.7751308679580688},{"id":"https://openalex.org/C501734568","wikidata":"https://www.wikidata.org/wiki/Q42918","display_name":"Mutation","level":3,"score":0.5778422355651855},{"id":"https://openalex.org/C114851261","wikidata":"https://www.wikidata.org/wiki/Q12147416","display_name":"Drug resistance","level":2,"score":0.5519440174102783},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.5295534729957581},{"id":"https://openalex.org/C502942594","wikidata":"https://www.wikidata.org/wiki/Q3421914","display_name":"Cancer research","level":1,"score":0.4306016266345978},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.42619240283966064},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.3084259629249573},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.28341150283813477},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.27996230125427246},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.1710774004459381},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.10376423597335815}],"mesh":[],"locations_count":6,"locations":[{"id":"doi:10.1145/3732775.3733588","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3732775.3733588","pdf_url":null,"source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the Platform for Advanced Scientific Computing Conference","raw_type":"proceedings-article"},{"id":"pmid:41669100","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41669100","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":"Proceedings of the Platform for Advanced Scientific Computing Conference","raw_type":null},{"id":"pmh:ark:/13030/qt28s498xk","is_oa":false,"landing_page_url":null,"pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null},{"id":"pmh:oai:escholarship.org:ark:/13030/qt28s498xk","is_oa":true,"landing_page_url":"https://escholarship.org/uc/item/28s498xk","pdf_url":null,"source":{"id":"https://openalex.org/S4306400115","display_name":"eScholarship (California Digital Library)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I2801248553","host_organization_name":"California Digital Library","host_organization_lineage":["https://openalex.org/I2801248553"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article"},{"id":"pmh:oai:europepmc.org:11692538","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/12885125","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":"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:12885125","is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC12885125/","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":"Proc Platf Adv Sci Comput Conf","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1145/3732775.3733588","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3732775.3733588","pdf_url":null,"source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the Platform for Advanced Scientific Computing Conference","raw_type":"proceedings-article"},"sustainable_development_goals":[{"score":0.6299999952316284,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"awards":[{"id":"https://openalex.org/G3223858213","display_name":null,"funder_award_id":"2151802","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"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":22,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1800166884","https://openalex.org/W1940083515","https://openalex.org/W1976499671","https://openalex.org/W2011601475","https://openalex.org/W2035266068","https://openalex.org/W2067718414","https://openalex.org/W2079331631","https://openalex.org/W2134967712","https://openalex.org/W2404280981","https://openalex.org/W2609723037","https://openalex.org/W2973617310","https://openalex.org/W3043157981","https://openalex.org/W3154466284","https://openalex.org/W3177828909","https://openalex.org/W4223963763","https://openalex.org/W4309506674","https://openalex.org/W4321459326","https://openalex.org/W4387346433","https://openalex.org/W4388825176","https://openalex.org/W4404020946","https://openalex.org/W4408333405"],"related_works":["https://openalex.org/W2153919606","https://openalex.org/W2003194288","https://openalex.org/W2213189664","https://openalex.org/W2513589746","https://openalex.org/W2074002899","https://openalex.org/W2062254828","https://openalex.org/W4237480606","https://openalex.org/W2936968863","https://openalex.org/W1971792277","https://openalex.org/W3026240506"],"abstract_inverted_index":{"Cancer":[0],"treatment":[1],"is":[2,24],"often":[3],"hindered":[4],"by":[5,13],"the":[6,49,100],"emergence":[7],"of":[8,51,72],"drug":[9,55],"resistance,":[10],"frequently":[11],"driven":[12],"novel":[14],"mutations":[15,53],"in":[16],"oncogenes":[17],"or":[18],"drug-targeted":[19],"pathways.":[20],"Predicting":[21],"resistance":[22,77],"mechanisms":[23,78],"critical":[25],"for":[26],"informing":[27],"therapeutic":[28,82],"strategies":[29],"and":[30,69,79],"improving":[31],"patient":[32],"outcomes.":[33],"Here,":[34],"we":[35],"present":[36],"a":[37,91],"computational":[38],"workflow":[39,58],"that":[40],"leverages":[41],"high-performance":[42],"computing":[43],"(HPC)":[44],"resources":[45],"to":[46,75,93,97],"systematically":[47],"evaluate":[48],"impact":[50],"emerging":[52],"on":[54],"efficacy.":[56],"Our":[57],"integrates":[59],"deep":[60],"learning":[61],"structure":[62],"prediction,":[63],"molecular":[64,67],"dynamics":[65],"simulations,":[66],"docking,":[68],"binding":[70,101],"predictions":[71],"known":[73],"compounds":[74],"predict":[76],"propose":[80],"alternative":[81],"options.":[83],"We":[84],"also":[85],"explore":[86],"quantum":[87],"chemical":[88],"calculations":[89],"as":[90],"tool":[92],"complement":[94],"experimental":[95],"validations":[96],"better":[98],"understand":[99],"preferences":[102],"between":[103],"different":[104],"protein":[105],"forms.":[106]},"counts_by_year":[{"year":2026,"cited_by_count":1}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}
