发布求助
文献互助 智能选刊 最新文献

Proceedings of UrgentHPC 2021 : the Third International Workshop on HPC for Urgent Decision Making最新文献

筛选
英文 中文
Lessons Learned from Responsive Molecular Dynamics Studies of the COVID-19 Virus. 从 COVID-19 病毒的响应分子动力学研究中汲取的经验教训。
Proceedings of UrgentHPC 2021 : the Third International Workshop on HPC for Urgent Decision Making Pub Date : 2021-11-01 Epub Date: 2021-12-20 DOI: 10.1109/urgenthpc54802.2021.00006
David J Hardy, Barry Isralewitz, John E Stone, Emad Tajkhorshid
{"title":"Lessons Learned from Responsive Molecular Dynamics Studies of the COVID-19 Virus.","authors":"David J Hardy, Barry Isralewitz, John E Stone, Emad Tajkhorshid","doi":"10.1109/urgenthpc54802.2021.00006","DOIUrl":"10.1109/urgenthpc54802.2021.00006","url":null,"abstract":"<p><p>Over the past 18 months, the need to perform atomic detail molecular dynamics simulations of the SARS-CoV-2 virion, its spike protein, and other structures related to the viral infection cycle has led biomedical researchers worldwide to urgently seek out all available biomolecular structure information, appropriate molecular modeling and simulation software, and the necessary computing resources to conduct their work. We describe our experiences from several COVID-19 research collaborations and the challenges they presented in terms of our molecular modeling software development and support efforts, our laboratory's local computing environment, and our scientists' use of non-traditional HPC hardware platforms such as public clouds for large scale parallel molecular dynamics simulations.</p>","PeriodicalId":74555,"journal":{"name":"Proceedings of UrgentHPC 2021 : the Third International Workshop on HPC for Urgent Decision Making","volume":"2021 ","pages":"1-10"},"PeriodicalIF":0.0,"publicationDate":"2021-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9788906/pdf/nihms-1857407.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10795961","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：481959085
Book学术官方微信