Replica-exchange molecular dynamics simulations of protein adsorption on a hydrophobic surface

被引:0
|
作者
Sun, Yu [1 ]
Latour, Robert A. [1 ]
机构
[1] Clemson Univ, Dept Bioengn, Clemson, SC 29634 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
112-COMP
引用
收藏
页数:2
相关论文
共 50 条
  • [21] Calculation of adsorption free energy for solute-surface interactions using biased replica-exchange molecular dynamics
    Wang, Feng
    Stuart, Steven J.
    Latour, Robert A.
    BIOINTERPHASES, 2008, 3 (01) : 9 - 18
  • [22] Adaptive distributed replica-exchange simulations
    Luckow, Andre
    Jha, Shantenu
    Kim, Joohyun
    Merzky, Andre
    Schnor, Bettina
    PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 2009, 367 (1897): : 2595 - 2606
  • [23] Folding of Trp-cage Mini Protein Using Temperature and Biasing Potential Replica-Exchange Molecular Dynamics Simulations
    Kannan, Srinivasaraghavan
    Zacharias, Martin
    INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2009, 10 (03) : 1121 - 1137
  • [24] Folding simulations of Trp-cage mini protein in explicit solvent using biasing potential replica-exchange molecular dynamics simulations
    Kannan, Srinivasaraghavan
    Zacharias, Martin
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2009, 76 (02) : 448 - 460
  • [25] Replica-exchange molecular dynamics simulations of the amyloid-beta(16-22) fragments
    Nishikawa, N.
    Nguyen, P.
    Derreumaux, P.
    Okamoto, Y.
    EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, 2013, 42 : S68 - S68
  • [26] Cryo-Cooling Effect on DHFR Crystal Studied by Replica-Exchange Molecular Dynamics Simulations
    Nagai, Tetsuro
    Tama, Florence
    Miyashita, Osamu
    BIOPHYSICAL JOURNAL, 2019, 116 (03) : 395 - 405
  • [27] REIN: Replica-Exchange INterface for Simulating Protein Dynamics and Function
    Miyashita, Naoyuki
    Re, Suyong
    Sugita, Yuji
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2015, 115 (05) : 325 - 332
  • [28] Recent development of replica-exchange molecular dynamics simulation methods
    Sugita, Yuji
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
  • [29] Implementation of the replica-exchange molecular dynamics method for rigid bodies
    Moskovsky, A. A.
    Vanovschi, V. V.
    Konyukhov, S. S.
    Nemukhin, A. V.
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2006, 106 (10) : 2208 - 2213
  • [30] Spontaneous formation of polyglutamine nanotubes by replica-exchange molecular dynamics
    Mousseau, Normand
    Laghaei, Rozita
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 238