Calculation of the water-cyclohexane transfer free energies of neutral amino acid side-chain analogs using the OPLS all-atom force field
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.10328/fullpdf
Reference26 articles.
1. Calculation of the free energy of solvation for neutral analogs of amino acid side chains
2. An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase
3. ; ; ; ; ; ; ; Biomolecular Simulation: GROMOS96 Manual and User Guide; BIOMOS b.v.: Zurich, 1996.
4. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
5. Development of an all-atom force field for heterocycles. Properties of liquid pyridine and diazenes
Cited by 97 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. Alchemical approach performance in calculating the ligand-binding free energy;RSC Advances;2024
2. Computational compound screening of biomolecules and soft materials by molecular simulations;Modelling and Simulation in Materials Science and Engineering;2021-02-02
3. QresFEP: An Automated Protocol for Free Energy Calculations of Protein Mutations in Q;Journal of Chemical Theory and Computation;2019-08-22
4. Atomistic Simulations of Membrane Ion Channel Conduction, Gating, and Modulation;Chemical Reviews;2019-06-27
5. Modified Potential Functions Result in Enhanced Predictions of a Protein Complex by All-Atom Molecular Dynamics Simulations, Confirming a Stepwise Association Process for Native Protein–Protein Interactions;Journal of Chemical Theory and Computation;2019-06-26
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