Hybrid QM/MM study of thio effects in transphosphorylation reactions

被引:0
|
作者
机构
来源
| 1600年 / American Chemical Society卷 / 125期
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [21] Theoretical QM/MM studies of enzymatic pericyclic reactions
    S. Martí
    J. Andrés
    V. Moliner
    E. Silla
    I. Tuñón
    J. Bertrán
    Interdisciplinary Sciences: Computational Life Sciences, 2010, 2 : 115 - 131
  • [22] Enhancing Paradynamics for QM/MM Sampling of Enzymatic Reactions
    Lameira, Jeronimo
    Kupchencko, Ilya
    Warshel, Arieh
    JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 120 (09): : 2155 - 2164
  • [23] QM/MM studies of organic and enzymatic reactions.
    Jorgensen, WL
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 229 : U770 - U770
  • [24] Accuracy in QM/MM simulations of organic and enzymatic reactions
    Jorgensen, William L.
    Tirado-Rives, Julian
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 233
  • [25] QM/MM simulations of organic and enzymatic reactions in solution
    Vilseck, Jonah
    Jorgensen, William
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 252
  • [26] QM/MM simulations of electron/exciton transfer reactions
    Elstner, Marcus
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
  • [27] QM/MM hybrid calculation of biological macromolecules using a new interface program connecting QM and MM engines
    Hagiwara, Yohsuke
    Ohta, Takehiro
    Tateno, Masaru
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2009, 21 (06)
  • [28] Theoretical QM/MM Studies of Enzymatic Pericyclic Reactions
    Marti, S.
    Andres, J.
    Moliner, V.
    Silla, E.
    Tunon, I.
    Bertran, J.
    INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2010, 2 (01) : 115 - 131
  • [29] Ionic Liquid Effects on Nucleophilic Aromatic Substitution Reactions from QM/MM Simulations
    Allen, Caley
    McCann, Billy W.
    Acevedo, Orlando
    JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 119 (03): : 743 - 752
  • [30] 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