Estimating the Ruggedness of Protein Free Energy Landscapes from Molecular Dynamics Simulations

被引：1
|
作者：
Volkhardt, Andreas [1 ]
Grubmueller, Helmut [1 ]
机构：
[1] Max Planck Inst Biophys Chem, D-37077 Gottingen, Germany
来源：
BIOPHYSICAL JOURNAL | 2016年 / 110卷 / 03期
关键词：
D O I：
10.1016/j.bpj.2015.11.3440
中图分类号：
Q6 [生物物理学];
学科分类号：
071011 ;
摘要：
3172-Pos
引用
收藏
页码：643A / 643A
页数：1
相关论文
共 50 条
  • [41] The switch states of the GDP-bound HRAS affected by point mutations: a study from Gaussian accelerated molecular dynamics simulations and free energy landscapes
    Bao, Huayin
    Wang, Wei
    Sun, Haibo
    Chen, Jianzhong
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2024, 42 (07): : 3363 - 3381
  • [42] Molecular Modulation of Protein Energy Landscapes
    Bunck, David N.
    Museth, Katrine
    Atsavapranee, Beatriz
    Heath, James R.
    BIOPHYSICAL JOURNAL, 2016, 110 (03) : 391A - 391A
  • [43] Insights into protein compressibility from molecular dynamics simulations
    Dadarlat, VM
    Post, CB
    JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (03): : 715 - 724
  • [44] Protein folding properties from molecular dynamics simulations
    van der Spoel, David
    Patriksson, Alexandra
    Seibert, M. Marvin
    APPLIED PARALLEL COMPUTING: STATE OF THE ART IN SCIENTIFIC COMPUTING, 2007, 4699 : 109 - +
  • [45] Computational studies on pseudorotaxanes by molecular dynamics and free energy perturbation simulations
    Grabuleda, X
    Ivanov, P
    Jaime, C
    JOURNAL OF ORGANIC CHEMISTRY, 2003, 68 (04): : 1539 - 1547
  • [46] Polar interactions of chondroitinsulfate - Surface free energy and molecular dynamics simulations
    Wiegel, D
    Kaufmann, J
    Arnold, K
    COLLOIDS AND SURFACES B-BIOINTERFACES, 1999, 13 (03) : 143 - 156
  • [47] Overcoming free energy barriers using unconstrained molecular dynamics simulations
    Hénin, J
    Chipot, C
    JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (07): : 2904 - 2914
  • [48] Molecular dynamics simulations and free energy calculations of base flipping in dsRNA
    Hart, K
    Nyström, B
    Öhman, M
    Nilsson, L
    RNA, 2005, 11 (05) : 609 - 618
  • [49] Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation
    Miao, Yinglong
    Sinko, William
    Pierce, Levi
    Bucher, Denis
    Walker, Ross C.
    McCammon, J. Andrew
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 10 (07) : 2677 - 2689
  • [50] Estimating Error in Diffusion Coefficients Derived from Molecular Dynamics Simulations
    Pranami, Gaurav
    Lamm, Monica H.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015, 11 (10) : 4586 - 4592
12345