BIT_FED: An automatic sampling method for free energy calculations

被引：0
作者：
Thomas, M. [1 ,2 ]
Gigante, S. [3 ]
Enciso, M. [1 ]
机构：
[1] La Trobe Univ, Bundoora, Vic 3086, Australia
[2] Victorian Life Sci Computat Initiat, Melbourne, Vic, Australia
[3] Univ Melbourne, Melbourne, Vic 3010, Australia
来源：
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS | 2015年 / 44卷
关键词：
D O I：
暂无
中图分类号：
Q6 [生物物理学];
学科分类号：
071011 ;
摘要：
P-410
引用
收藏
页码：S150 / S150
页数：1
相关论文
共 50 条
  • [31] Method for free-energy calculations using iterative techniques
    Kumar, S
    Payne, PW
    Vasquez, M
    [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1996, 17 (10) : 1269 - 1275
  • [32] Accurate calculations of free-energy differences by the distribution method
    Di Wu
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (22)
  • [33] HYDRATION FREE-ENERGY CALCULATIONS BY THE ACCEPTANCE RATIO METHOD
    SAITO, M
    NAKAMURA, H
    [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1990, 11 (01) : 76 - 81
  • [34] Weighted least square analysis method for free energy calculations
    Hu, Dan
    Guan, Xiaoqing
    Wang, Yukun
    [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 2018, 39 (28) : 2397 - 2404
  • [35] A method for free-energy calculations using iterative techniques
    Kumar, S
    Payne, PW
    Vasquez, M
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 211 : 9 - COMP
  • [36] The accelerated weight histogram method for alchemical free energy calculations
    Lundborg, M.
    Lidmar, J.
    Hess, B.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2021, 154 (20)
  • [37] Free Energy Calculations: An Efficient Adaptive Biasing Potential Method
    Dickson, Bradley M.
    Legoll, Frederic
    Lelievre, Tony
    Stoltz, Gabriel
    Fleurat-Lessard, Paul
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 114 (17) : 5823 - 5830
  • [38] Sampling Enhancement and Free Energy Prediction by the Flying Gaussian Method
    Sucur, Zoran
    Spiwok, Vojtech
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 12 (09) : 4644 - 4650
  • [39] Integrated Hamiltonian Sampling: A Simple and Versatile Method for Free Energy Simulations and Conformational Sampling
    Mori, Toshifumi
    Hamers, Robert J.
    Pedersen, Joel A.
    Cui, Qiang
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 118 (28) : 8210 - 8220
  • [40] Free Energy Calculations using a Swarm-Enhanced Sampling Molecular Dynamics Approach
    Burusco, Kepa K.
    Bruce, Neil J.
    Alibay, Irfan
    Bryce, Richard A.
    [J]. CHEMPHYSCHEM, 2015, 16 (15) : 3233 - 3241
12345