QM/MM Methods: Recent Developments and Application to Membrane Proteins and Molecular Motors

被引:0
|
作者
Cui, Qiang [1 ]
机构
[1] Univ Wisconsin, Madison, WI USA
关键词
D O I
10.1016/j.bpj.2013.11.2521
中图分类号
Q6 [生物物理学];
学科分类号
071011 ;
摘要
引用
收藏
页码:445A / 445A
页数:1
相关论文
共 50 条
  • [1] Recent developments and applications of QM/MM methods
    Hillier, I
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 1998, 16 (4-6): : 272 - 272
  • [2] Recent developments and applications of QM/MM methods with SCC-DFTB and ab initio QM methods
    Cui, Qiang
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 244
  • [3] Recent advances in QM and QM/MM methods
    Gordon, MS
    Schmidt, MW
    COMPUTATIONAL SCIENCE - ICCS 2003, PT IV, PROCEEDINGS, 2003, 2660 : 75 - 83
  • [4] Development and application of QM/MM methods and beyond
    Merz, KM
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 214 : 209 - COMP
  • [5] Recent development and applications of combined QM/MM methods
    Mo, YR
    Alhambra, G
    Gao, JL
    ACTA CHIMICA SINICA, 2000, 58 (12) : 1504 - 1510
  • [6] Application of Adaptive QM/MM Methods to Molecular Dynamics Simulations of Aqueous Systems
    Park, Kyoyeon
    Goetz, Andreas W.
    Walker, Ross C.
    Paesani, Francesco
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2012, 8 (08) : 2868 - 2877
  • [7] Recent developments in QM/MM methods towards open-boundary multi-scale simulations
    Pezeshki, Soroosh
    Lin, Hai
    MOLECULAR SIMULATION, 2015, 41 (1-3) : 168 - 189
  • [8] Application of QM/MM and QM methods to investigate histone deacetylase 8
    Gleeson, Duangkamol
    Gleeson, M. Paul
    MEDCHEMCOMM, 2015, 6 (03) : 477 - 485
  • [9] QM/MM Computations of molecular oscillations in heme proteins
    Freindorf, Marek
    Furlani, Thomas R.
    Kong, Jing
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 230 : U2964 - U2964
  • [10] QM/MM methods: Looking inside heme proteins biochemisty
    Guallar, Victor
    Wallrapp, Frank H.
    BIOPHYSICAL CHEMISTRY, 2010, 149 (1-2) : 1 - 11