Sense and nonsense when performing and interpreting molecular dynamics simulations of biomolecular systems

被引:0
|
作者
Van Gunsteren, Wilfred [1 ]
机构
[1] ETH, Zurich, Switzerland
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
28
引用
收藏
页数:2
相关论文
共 50 条
  • [21] Slow dynamics of biomolecular systems studied through atomistic MD simulations
    Simmerling, Carlos
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 239
  • [22] Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems (vol 13, pg 5933, 2017)
    Radak, Brian K.
    Chipot, Christophe
    Suh, Donghyuk
    Jo, Sunhwan
    Jiang, Wei
    Phillips, James C.
    Schulten, Klaus
    Roux, Benoit
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 14 (12) : 6748 - 6749
  • [23] Molecular dynamics simulations of multiprotein systems
    Hall, CK
    Smith, AV
    BIOPHYSICAL JOURNAL, 2001, 80 (01) : 557A - 557A
  • [24] Molecular Dynamics Simulations for Anisotropic Systems
    Aoki, K. M.
    COMPUTER SIMULATION STUDIES IN CONDENSED-MATTER PHYSICS XIX, 2009, 123 : 61 - 65
  • [25] Bayesian Refinement of Accelerated Molecular Dynamics Simulations for Interpreting SAXS Experiments
    Bowerman, Samuel
    Rice, Amy
    Wereszczynski, Jeff
    BIOPHYSICAL JOURNAL, 2017, 112 (03) : 580A - 580A
  • [26] Modeling Structural Dynamics of Biomolecular Complexes by Coarse-Grained Molecular Simulations
    Takada, Shoji
    Kanada, Ryo
    Tan, Cheng
    Terakawa, Tsuyoshi
    Li, Wenfei
    Kenzaki, Hiroo
    ACCOUNTS OF CHEMICAL RESEARCH, 2015, 48 (12) : 3026 - 3035
  • [27] Performance analysis of parallel molecular dynamics simulation for biomolecular systems
    Butu, A
    JOURNAL OF OPTOELECTRONICS AND ADVANCED MATERIALS, 2005, 7 (06): : 3101 - 3106
  • [28] Multi-overlap molecular dynamics methods for biomolecular systems
    Itoh, SG
    Okamoto, Y
    CHEMICAL PHYSICS LETTERS, 2004, 400 (4-6) : 308 - 313
  • [29] Molecular dynamics analysis of biomolecular systems including nucleic acids
    Kameda, Takeru
    Awazu, Akinori
    Togashi, Yuichi
    BIOPHYSICS AND PHYSICOBIOLOGY, 2022, 19
  • [30] Molecular Dynamics Simulations of the Dynamics of Small Cholesterol Systems
    Raczynski, Przemyslaw
    Gburski, Z.
    NANOPHYSICS, NANOMATERIALS, INTERFACE STUDIES, AND APPLICATIONS, NANO2016, 2017, 195 : 595 - 601