利用机器学习和定向分子动力学方法,对日本脑炎病毒 NS5 蛋白受小分子抑制的结构和能量分析

Abdulfattah Y. Alhazmi, Farhan R. Khan, Zia ur Rehman, Ali Hazazi, Bader S. Alotaibi, Nahed S. Alharthi, Hayaa M. Alhuthali, Faris F. Aba Alkhayl, Faez Falah Alshehri, Abdulaziz Alkhoshaiban, Faisal Al-Otaibi
{"title":"利用机器学习和定向分子动力学方法,对日本脑炎病毒 NS5 蛋白受小分子抑制的结构和能量分析","authors":"Abdulfattah Y. Alhazmi, Farhan R. Khan, Zia ur Rehman, Ali Hazazi, Bader S. Alotaibi, Nahed S. Alharthi, Hayaa M. Alhuthali, Faris F. Aba Alkhayl, Faez Falah Alshehri, Abdulaziz Alkhoshaiban, Faisal Al-Otaibi","doi":"10.1080/07391102.2024.2316767","DOIUrl":null,"url":null,"abstract":"One of the viral diseases that affect millions of people around the world, particularly in developing countries, is Japanese encephalitis (JE). In this study, the conserved protein of this virus, t...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"79 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Structural and energetic analysis of NS5 protein inhibition by small molecules in Japanese encephalitis virus using machine learning and steered molecular dynamics approach\",\"authors\":\"Abdulfattah Y. Alhazmi, Farhan R. Khan, Zia ur Rehman, Ali Hazazi, Bader S. Alotaibi, Nahed S. Alharthi, Hayaa M. Alhuthali, Faris F. Aba Alkhayl, Faez Falah Alshehri, Abdulaziz Alkhoshaiban, Faisal Al-Otaibi\",\"doi\":\"10.1080/07391102.2024.2316767\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"One of the viral diseases that affect millions of people around the world, particularly in developing countries, is Japanese encephalitis (JE). In this study, the conserved protein of this virus, t...\",\"PeriodicalId\":15085,\"journal\":{\"name\":\"Journal of Biomolecular Structure and Dynamics\",\"volume\":\"79 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-02-26\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Biomolecular Structure and Dynamics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1080/07391102.2024.2316767\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Biomolecular Structure and Dynamics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1080/07391102.2024.2316767","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

摘要

日本脑炎(JE)是影响全世界,尤其是发展中国家数百万人的病毒性疾病之一。在这项研究中,日本脑炎病毒的保守蛋白...
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Structural and energetic analysis of NS5 protein inhibition by small molecules in Japanese encephalitis virus using machine learning and steered molecular dynamics approach
One of the viral diseases that affect millions of people around the world, particularly in developing countries, is Japanese encephalitis (JE). In this study, the conserved protein of this virus, t...
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
0
期刊最新文献
Cheminformatics-enhanced discovery of therapeutic agents targeting isocitrate lyase in Mycobacterium tuberculosis infections. Molecular interaction studies of L-proline in water and ethanol at different temperatures using dielectric relaxation, refractive index and DFT methods. Kaempferol as a novel inhibitor of SARS-CoV-2 RNA-dependent RNA polymerase. Book of Abstracts. The 1st Next Generation Conversations: Albany at Ruston 2024 (The 21st Albany Conversation) Antifungal drug discovery for targeting Candida albicans morphogenesis through structural dynamics study
×
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
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 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 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1