SMD-Based Interaction-Energy Fingerprints Can Predict Accurately the Dissociation Rate Constants of HIV-1 Protease Inhibitors
Author:
Affiliation:
1. Department of Medicinal Chemistry, College of Pharmacy, Southwest Medical University, Luzhou, Sichuan 646000, China
Funder
Ministry of Education of the People's Republic of China
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.8b00567
Reference53 articles.
1. Active human immunodeficiency virus protease is required for viral infectivity.
2. The structural stability of the HIV-1 protease 1 1Edited by P. E. Wright
3. HIV protease as a target for retrovirus vector-mediated gene therapy
4. Ty1 Gag Enhances the Stability and Nuclear Export of Ty1 mRNA
5. HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations
Cited by 15 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Quantitative Prediction of Dissociation Rates of PYK2 Ligands Using Umbrella Sampling and Milestoning;Journal of Chemical Theory and Computation;2024-04-19
2. 15 Years of molecular simulation of drug-binding kinetics;Expert Opinion on Drug Discovery;2023-10-04
3. Structure–Kinetic Relationship for Drug Design Revealed by a PLS Model with Retrosynthesis-Based Pre-Trained Molecular Representation and Molecular Dynamics Simulation;ACS Omega;2023-05-12
4. Structure-Kinetic Relationship for Drug Design Revealed by PLS Model with Retrosynthesis-Based Pre-trained Molecular Representation and Molecular Dynamics Simulation;2022-11-29
5. Ritonavir and xk263 Binding-Unbinding with HIV-1 Protease: Pathways, Energy and Comparison;Life;2022-01-13
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3