QM/MM studies of organic and enzymatic reactions.

被引：0
|
作者：
Jorgensen, WL [1 ]
机构：
[1] Yale Univ, Dept Chem, New Haven, CT 06520 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2005年 / 229卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
100-COMP
引用
收藏
页码：U770 / U770
页数：1
相关论文
共 50 条
  • [41] Enzymatic Synthesis of Poly(caprolactone): A QM/MM Study
    Figueiredo, Pedro R.
    Almeida, Beatriz C.
    Dourado, Daniel F. A. R.
    Sousa, Andreia F.
    Silvestre, Armando J. D.
    Carvalho, Alexandra T. P.
    CHEMCATCHEM, 2020, 12 (19) : 4845 - 4852
  • [42] Probing the energetics and dynamics of enzymatic reactions.
    Warshel, A
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1998, 216 : U805 - U805
  • [43] Facile formation of superelectrophile in enzymatic reactions.
    Brajeswar, P
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 213 : 136 - MEDI
  • [44] QM/MM simulations for the elucidation of ionic liquid effects upon classical organic reactions
    Allen, Caley R.
    Acevedo, Orlando
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 245
  • [45] QM/MM studies of acetylcholinesterase.
    Hurley, MM
    Wright, JB
    Lushington, GH
    White, WE
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 222 : U389 - U389
  • [46] Toward accurate barriers for enzymatic reactions:: QM/MM case study on p-hydroxybenzoate hydroxylase
    Mata, Ricardo A.
    Werner, Hans-Joachim
    Thiel, Stephan
    Thiel, Walter
    JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (02):
  • [47] Towards accurate ab initio QM/MM calculations of free-energy profiles of enzymatic reactions
    Rosta, E
    Klähn, M
    Warshel, A
    JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (06): : 2934 - 2941
  • [48] Organic reactions. Volume 45
    1600, ACS, Washington, DC, USA (116):
  • [49] Organic reactions. Volume 44
    Gable, K.P.
    Journal of the American Chemical Society, 1994, 116 (16)
  • [50] Organic reactions. Volume 43
    Gable, K.P.
    Journal of the American Chemical Society, 1994, 116 (11)
12345