Hybrid Car-Parrinello simulations of enzymatic reactions

被引：0
|
作者：
Rothlisberger, U [1 ]
机构：
[1] ETH Zurich, Zurich, Switzerland
来源：
JOURNAL OF MOLECULAR GRAPHICS & MODELLING | 1998年 / 16卷 / 4-6期
关键词：
D O I：
暂无
中图分类号：
Q5 [生物化学];
学科分类号：
071010 ; 081704 ;
摘要：
引用
收藏
页码：275 / 276
页数：2
相关论文
共 50 条
  • [1] Hybrid QM/MM Car-Parrinello simulations of catalytic and enzymatic reactions
    Colombo, MC
    Guidoni, L
    Laio, A
    Magistrato, A
    Maurer, P
    Piana, S
    Röhrig, U
    Spiegel, K
    Sulpizi, M
    VandeVondele, J
    Zumstein, M
    Röthlisberger, U
    CHIMIA, 2002, 56 (1-2) : 13 - 19
  • [2] PLASMA SIMULATIONS USING THE CAR-PARRINELLO METHOD
    CLEROUIN, J
    ZERAH, G
    BENISTI, D
    HANSEN, JP
    EUROPHYSICS LETTERS, 1990, 13 (08): : 685 - 690
  • [3] Adaptive accuracy control for Car-Parrinello simulations
    Bornemann, FA
    Schütte, C
    NUMERISCHE MATHEMATIK, 1999, 83 (02) : 179 - 186
  • [4] Car-Parrinello simulations with a real space method
    Schmid, R
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2004, 25 (06) : 799 - 812
  • [5] Hydrophobic hydration from Car-Parrinello simulations
    Kirchner, B
    Hutter, J
    Kuo, IFW
    Mundy, CJ
    INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2004, 18 (14): : 1951 - 1962
  • [6] Adaptive accuracy control for Car-Parrinello simulations
    Folkmar A. Bornemann
    Christof Schütte
    Numerische Mathematik, 1999, 83 : 179 - 186
  • [7] Car-Parrinello simulations of ATP hydrolysis in myosin.
    Minehardt, TJ
    Cooke, R
    Marzari, N
    Car, R
    Pate, EF
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 225 : U523 - U524
  • [8] Testing of pseudopotentials used in classical Car-Parrinello simulations
    Lowen, H
    DAmico, I
    JOURNAL OF PHYSICS-CONDENSED MATTER, 1997, 9 (42) : 8879 - 8892
  • [9] A Hamiltonian electrostatic coupling scheme for hybrid Car-Parrinello molecular dynamics simulations
    Laio, A
    VandeVondele, J
    Rothlisberger, U
    JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (16): : 6941 - 6947
  • [10] Car-Parrinello molecular dynamics simulations and biological systems
    Thar, Jens
    Reckien, Werner
    Kirchner, Barbara
    ATOMISTIC APPROACHES IN MODERN BIOLOGY: FROM QUANTUM CHEMISTRY TO MOLECULAR SIMULATIONS, 2007, 268 : 133 - 171
12345