Some connections between importance sampling and enhanced sampling methods in molecular dynamics
Author:
Affiliation:
1. Zuse Institut Berlin, Takustrasse 7, 14195 Berlin, Germany
2. Institut für Mathematik, Freie Universität Berlin, Arnimallee 6, 14195 Berlin, Germany
Funder
National Science Foundation
Deutsche Forschungsgemeinschaft
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.4989495
Reference39 articles.
1. Enhanced sampling techniques in molecular dynamics simulations of biological systems
2. Nonequilibrium Equality for Free Energy Differences
3. Entropy production fluctuation theorem and the nonequilibrium work relation for free energy differences
4. Rare events and the convergence of exponentially averaged work values
5. Escaping free-energy minima
Cited by 5 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. Nonasymptotic Bounds for Suboptimal Importance Sampling;SIAM/ASA Journal on Uncertainty Quantification;2024-04-15
2. Overcoming the timescale barrier in molecular dynamics: Transfer operators, variational principles and machine learning;Acta Numerica;2023-05
3. From offshore to onshore probabilistic tsunami hazard assessment via efficient Monte Carlo sampling;Geophysical Journal International;2022-04-11
4. Molecular Modeling of Nanoparticles;Computer Aided Pharmaceutics and Drug Delivery;2022
5. Computation of temperature-dependent dissociation rates of metastable protein–ligand complexes;Molecular Simulation;2019-05-05
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