From Thermodynamics to Kinetics: Enhanced Sampling of Rare Events
Author:
Affiliation:
1. Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203, China
Funder
Ministry of Science and Technology of the People's Republic of China
National Natural Science Foundation of China
Publisher
American Chemical Society (ACS)
Subject
General Medicine,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ar500267n
Reference63 articles.
1. Biomolecular Simulation: A Computational Microscope for Molecular Biology
2. Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
3. Reducing quasi‐ergodic behavior in Monte Carlo simulations by J‐walking: Applications to atomic clusters
4. Probability Distributions for Complex Systems: Adaptive Umbrella Sampling of the Potential Energy
5. Equilibrium Free Energies from Nonequilibrium Metadynamics
Cited by 64 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. Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms Using Molecular Configuration Transformer;The Journal of Physical Chemistry A;2024-05-17
2. Exploring Chemical Space Using Ab Initio Hyperreactor Dynamics;ACS Central Science;2024-01-31
3. Graphitic nanoflakes modulate the structure and binding of human amylin;Nanoscale;2024
4. Computed Protein–Protein Enthalpy Signatures as a Tool for Identifying Conformation Sampling Problems;Journal of Chemical Information and Modeling;2023-09-28
5. The intersection of stochastic mathematical theory and single-molecule/single-cell biophysical chemistry;SCIENTIA SINICA Mathematica;2023-08-15
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