Hamiltonian Replica Exchange Simulations to Enhance Sampling for Protein Folding

被引：0
|
作者：
Verma, Abhinav [1 ]
Schug, Alexander [1 ]
机构：
[1] Karlsruhe Inst Technol, D-76021 Karlsruhe, Germany
来源：
BIOPHYSICAL JOURNAL | 2012年 / 102卷 / 03期
关键词：
D O I：
10.1016/j.bpj.2011.11.2503
中图分类号：
Q6 [生物物理学];
学科分类号：
071011 ;
摘要：
引用
收藏
页码：456A / 456A
页数：1
相关论文
共 50 条
  • [1] Efficiency of Replica Exchange Sampling in Protein Folding
    Zhang, Weihng
    Chen, Jianhan
    [J]. BIOPHYSICAL JOURNAL, 2011, 100 (03) : 156 - 156
  • [2] A novel Hamiltonian replica exchange MD protocol to enhance protein conformational space sampling
    Affentranger, R
    Tavernelli, I
    Di Iorio, EE
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2006, 2 (02) : 217 - 228
  • [3] Atomic simulations of protein folding, using the replica exchange algorithm
    Nymeyer, H
    Gnanakaran, S
    García, AE
    [J]. NUMERICAL COMPUTER METHODS, PT D, 2004, 383 : 119 - +
  • [4] Convergence and sampling efficiency in replica exchange simulations of peptide folding in explicit solvent
    Periole, Xavier
    Mark, Alan E.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (01):
  • [5] Simulating replica exchange simulations of protein folding with a kinetic network model
    Zheng, Weihua
    Andrec, Michael
    Gallicchio, Emilio
    Levy, Ronald M.
    [J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2007, 104 (39) : 15340 - 15345
  • [6] Reversible folding simulation by hybrid Hamiltonian replica exchange
    Xu, Weixin
    Lai, Tingfeng
    Yang, Ye
    Mu, Yuguang
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (17):
  • [7] Sampling of Protein Folding Transitions: Multicanonical Versus Replica Exchange Molecular Dynamics
    Jiang, Ping
    Yasar, Fatih
    Hansmann, Ulrich H. E.
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2013, 9 (08) : 3816 - 3825
  • [8] Protein folding pathways from replica exchange simulations and a kinetic network model
    Andrec, M
    Felts, AK
    Gallicchio, E
    Levy, RM
    [J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2005, 102 (19) : 6801 - 6806
  • [9] Effective potentials for protein folding and binding with applications using replica exchange simulations
    Levy, RM
    Andrec, M
    Felts, AK
    Gallicchio, E
    Ohkubo, YZ
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 230 : U1254 - U1255
  • [10] Adaptive temperature-based replica exchange methods for protein folding simulations
    Lee, Michael S.
    Olson, Mark A.
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 242
12345