发布求助
文献互助 智能选刊 最新文献

Proceedings of the Platform for Advanced Scientific Computing Conference最新文献

筛选
英文 中文
In-Silico Predictions of Drug Resistance in Lung Cancers With EGFR Mutation. EGFR突变肺癌耐药的计算机预测。
Proceedings of the Platform for Advanced Scientific Computing Conference Pub Date : 2025-06-01 Epub Date: 2025-06-20 DOI: 10.1145/3732775.3733588
Ibrahim Imam, Usman L Abbas, Christian M Gosser, Christine F Brainson, Wibe de Jong, Xiaoqi Liu, Hunter N B Moseley, Shao Qing, Shulin Zhang, Ralph Zinner, Sally R Ellingson
{"title":"In-Silico Predictions of Drug Resistance in Lung Cancers With EGFR Mutation.","authors":"Ibrahim Imam, Usman L Abbas, Christian M Gosser, Christine F Brainson, Wibe de Jong, Xiaoqi Liu, Hunter N B Moseley, Shao Qing, Shulin Zhang, Ralph Zinner, Sally R Ellingson","doi":"10.1145/3732775.3733588","DOIUrl":"10.1145/3732775.3733588","url":null,"abstract":"<p><p>Cancer treatment is often hindered by the emergence of drug resistance, frequently driven by novel mutations in oncogenes or drug-targeted pathways. Predicting resistance mechanisms is critical for informing therapeutic strategies and improving patient outcomes. Here, we present a computational workflow that leverages high-performance computing (HPC) resources to systematically evaluate the impact of emerging mutations on drug efficacy. Our workflow integrates deep learning structure prediction, molecular dynamics simulations, molecular docking, and binding predictions of known compounds to predict resistance mechanisms and propose alternative therapeutic options. We also explore quantum chemical calculations as a tool to complement experimental validations to better understand the binding preferences between different protein forms.</p>","PeriodicalId":521244,"journal":{"name":"Proceedings of the Platform for Advanced Scientific Computing Conference","volume":"2025 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12885125/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146160106","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：604180095
Book学术官方微信
小红书