Effect of atomic charge, solvation, entropy, and ligand protonation state on MM-PB(GB)SA binding energies of HIV protease
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference86 articles.
1. Domain communication in the dynamical structure of human immunodeficiency virus 1 protease.
2. HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations
3. HIV-1 Protease Flaps Spontaneously Close to the Correct Structure in Simulations Following Manual Placement of an Inhibitor into the Open State
4. The Open Structure of a Multi-Drug-Resistant HIV-1 Protease is Stabilized by Crystal Packing Contacts
5. HIV-1 protease molecular dynamics of a wild-type and of the V82F/I84V mutant: Possible contributions to drug resistance and a potential new target site for drugs
Cited by 61 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. Design and Spectral Validation of RAD51 Inhibitors Based on BRC4 (1523-1546);Pharmaceutical Chemistry Journal;2024-06
2. Analyzing the impact of substitution on the temperature-sensitive release of doxorubicin in an imine-based covalent organic framework using molecular dynamics;Computational Materials Science;2024-03
3. Intelligent Protein Design and Molecular Characterization Techniques: A Comprehensive Review;Molecules;2023-11-30
4. Terminus-immobilization effect on peptide conformations and peptide–peptide interactions;Nano Research;2023-06-22
5. Effect of temperature on hepatitis a virus and exploration of binding mode mechanism of phytochemicals from tinospora cordifolia : an insight into molecular docking, MM/GBSA, and molecular dynamics simulation study;Journal of Biomolecular Structure and Dynamics;2023-03-30
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