Scalable strategies for polarizable molecular dynamics simulations

被引：0
|
作者：
Piquemal, Jean-Philip [1 ]
机构：
[1] Univ Paris 06, Univ Sorbonne, Dept Chem, Paris, France
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2014年 / 248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：
286-PHYS
引用
收藏
页数：1
相关论文
共 50 条
  • [1] A Scalable and Efficient Approach to Polarizable Force Fields in Molecular Dynamics Simulations
    Coles, Jonathan P.
    Masella, Michel
    BIOPHYSICAL JOURNAL, 2018, 114 (03) : 675A - 675A
  • [2] Molecular dynamics simulations with polarizable potential models
    Dang, LX
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1998, 216 : U704 - U704
  • [3] Polarizable Molecular Dynamics Simulations of Aqueous Dipeptides
    Kucukkal, Tugba G.
    Stuart, Steven J.
    JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 116 (30): : 8733 - 8740
  • [4] Polarizable force fields for molecular dynamics simulations of biomolecules
    Baker, Christopher M.
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2015, 5 (02) : 241 - 254
  • [5] Molecular dynamics simulations of polarizable DNA in crystal environment
    Babin, Volodymyr
    Baucom, Jason
    Darden, Thomas A.
    Sagui, Celeste
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2006, 106 (15) : 3260 - 3269
  • [6] Development of a polarizable water model for molecular dynamics simulations
    Khan, Sehr Naseem
    Lagardere, Louis
    Cisneros, Gerardo
    Gresh, Nohad
    Piquemal, Jean-Philip
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 258
  • [7] Molecular dynamics simulations with polarizable potential models.
    Dang, LX
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2000, 220 : U280 - U281
  • [8] Molecular dynamics simulations of polarizable nanotubes interacting with water
    Moulin, F
    Devel, M
    Picaud, S
    PHYSICAL REVIEW B, 2005, 71 (16)
  • [9] A polarizable model of water for molecular dynamics simulations of biomolecules
    Lamoureux, G
    Harder, E
    Vorobyov, IV
    Roux, B
    MacKerell, AD
    CHEMICAL PHYSICS LETTERS, 2006, 418 (1-3) : 245 - 249
  • [10] The Implementation of Polarizable and Flexible Models in Molecular Dynamics Simulations
    Wang, Shihao
    Cann, Natalie M.
    HIGH PERFORMANCE COMPUTING SYSTEMS AND APPLICATIONS, 2010, 5976 : 76 - 98
12345