Extending molecular dynamics time scales with milestoning: Example of complex kinetics in a solvated peptide
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2716389
Reference36 articles.
1. New Algorithms for Macromolecular Simulation
2. Using massively parallel simulation and Markovian models to study protein folding: Examining the dynamics of the villin headpiece
3. Computing time scales from reaction coordinates by milestoning
4. Efficient computation of the first passage time distribution of the generalized master equation by steady-state relaxation
5. Current Status of Transition-State Theory
Cited by 165 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. Kinetic Network in Milestoning: Clustering, Reduction, and Transition Path Analysis;Journal of Chemical Theory and Computation;2024-06-17
2. Comparison of Accuracy and Efficiency of Milestoning Variants: Introducing Buffer Milestoning;The Journal of Physical Chemistry B;2024-02-05
3. 15 Years of molecular simulation of drug-binding kinetics;Expert Opinion on Drug Discovery;2023-10-04
4. Approximating First Hitting Point Distribution in Milestoning for Rare Event Kinetics;Journal of Chemical Theory and Computation;2023-09-11
5. Kinetics from Metadynamics: Principles, Applications, and Outlook;Journal of Chemical Theory and Computation;2023-08-16
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