Free Energy Landscape of Biomolecules from Multiple Non-Equilibrium Molecular Simulations

被引：1
|
作者：
Sakuraba, Shun [1 ]
Kitao, Akio [1 ,2 ]
机构：
[1] Univ Tokyo, Tokyo, Japan
[2] JST CREST, Tokyo, Japan
来源：
BIOPHYSICAL JOURNAL | 2009年 / 96卷 / 03期
关键词：
D O I：
10.1016/j.bpj.2008.12.2069
中图分类号：
Q6 [生物物理学];
学科分类号：
071011 ;
摘要：
2091-Pos
引用
收藏
页码：406A / 406A
页数：1
相关论文
共 50 条
  • [1] Free energy calculation from non-equilibrium simulations
    Xiong, Hui
    Cheng, Hai-Ping
    Roitberg, Adrian E.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 231
  • [2] Non-equilibrium free energy methods for biomolecular simulations
    Sagui, Celeste
    Babin, Volodymyr
    Moradi, Mahmoud
    Roland, Christopher
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246
  • [3] Free energy and kinetic rate calculation via non-equilibrium molecular simulation: application to biomolecules
    Iida, Shinji
    Tomoshi, Kameda
    BIOPHYSICAL REVIEWS, 2022, 14 (06) : 1303 - 1314
  • [4] Free energy and kinetic rate calculation via non-equilibrium molecular simulation: application to biomolecules
    Shinji Iida
    Kameda Tomoshi
    Biophysical Reviews, 2022, 14 : 1303 - 1314
  • [5] Energy flow in thermostatted non-equilibrium molecular dynamics simulations
    Daivis, P. J.
    MOLECULAR PHYSICS, 2019, 117 (23-24) : 3812 - 3818
  • [6] Non-equilibrium behaviour of equilibrium reservoirs in molecular simulations
    Tysanner, MW
    Garcia, AL
    INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, 2005, 48 (12) : 1337 - 1349
  • [7] On the Relative Merits of Equilibrium and Non-Equilibrium Simulations for the Estimation of Free-Energy Differences
    Daura, Xavier
    Affentranger, Roman
    Mark, Alan E.
    CHEMPHYSCHEM, 2010, 11 (17) : 3734 - 3743
  • [8] On multiscale non-equilibrium molecular dynamics simulations
    Li, Shaofan
    Sheng, Ni
    INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING, 2010, 83 (8-9) : 998 - 1038
  • [9] Free energy calculations from non-equilibrium pulling simulations on a single peptide molecule.
    Xiong, H
    Cheng, HP
    Roitberg, A
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 228 : U520 - U520
  • [10] Bidirectional path-based non-equilibrium simulations for binding free energy
    Ghidini, Alessia
    Serra, Eleonora
    Decherchi, Sergio
    Cavalli, Andrea
    MOLECULAR PHYSICS, 2024,
12345