Rapid and Accurate Prediction of Binding Free Energies for Saquinavir-Bound HIV-1 Proteases
Author:
Affiliation:
1. Centre for Computational Science, Department of Chemistry, University College London, London WC1H 0AH, U.K.
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/ja0779250
Reference56 articles.
1. Conserved Folding in Retroviral Proteases: Crystal Structure of Synthetic HIV-1 Protease
2. Biomolecular Simulations: Recent Developments in Force Fields, Simulations of Enzyme Catalysis, Protein-Ligand, Protein-Protein, and Protein-Nucleic Acid Noncovalent Interactions
3. Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
Cited by 138 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. A Study on the Binding Mechanism and the Impact of Key Residue Mutations between SND1 and MTDH Peptide through Molecular Dynamics Simulations;The Journal of Physical Chemistry B;2024-09-14
2. Functionalized carbon nanotubes as an alternative to traditional anti-HIV-1 protease inhibitors: An understanding towards Nano-medicine development through MD simulations;Journal of Molecular Graphics and Modelling;2022-12
3. Classical and Machine Learning Methods for Protein - Ligand Binding Free Energy Estimation;Current Drug Metabolism;2022-04
4. Effects of the G48M mutant on the dynamics properties and binding mechanism of PR with SQV and ATV;Molecular Simulation;2022-03-28
5. Revealing the drug resistance mechanism of saquinavir due to G48V and V82F mutations in subtype CRF01_AE HIV-1 protease: molecular dynamics simulation and binding free energy calculations;Journal of Biomolecular Structure and Dynamics;2021-12-17
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