Polarizable force field calculations based on the principle of chemical potential equalization

被引:0
|
作者
Giese, TJ [1 ]
York, D [1 ]
机构
[1] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
247
引用
收藏
页码:U770 / U770
页数:1
相关论文
共 50 条
  • [1] A transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle
    Chelli, R
    Procacci, P
    JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (20): : 9175 - 9189
  • [2] Polarizable Force Fields Based on Physical Models and Quantum Chemical Calculations
    Wang, Xingyong
    Yan, Tianying
    Ma, Jing
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2015, 115 (09) : 545 - 549
  • [3] New developments in a general chemical potential equalization force field.
    Giese, TJ
    York, D
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 222 : U400 - U400
  • [4] Calculations of the Electric Field in Solutions and Proteins with Polarizable Force Fields
    Fried, Stephen D.
    Wang, Lee-Ping
    Boxer, Steven G.
    Pande, Vijay S.
    BIOPHYSICAL JOURNAL, 2014, 106 (02) : 403A - 403A
  • [5] Chemical potential equalization: A many-body force field for molecular simulations.
    York, DM
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 224 : U472 - U472
  • [6] A chemical potential equalization approach to constant potential polarizable electrodes for electrochemical-cell simulations
    Nakano, Hiroshi
    Sato, Hirofumi
    JOURNAL OF CHEMICAL PHYSICS, 2019, 151 (16):
  • [7] Polarizable multipole based nucleic acid force field
    Ren, Pengyu
    Zhang, Changsheng
    Lv, Chao
    Ponder, Jay
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 252
  • [8] Ab initio based polarizable force field parametrization
    Masia, Marco
    JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (18):
  • [9] Parameterization to NDDO-based polarizable force field
    Heike Thomas
    Matthias Hennemann
    Stefan Guessregen
    Timothy Clark
    Journal of Cheminformatics, 6 (Suppl 1)
  • [10] Drude Model Based Polarizable Force Field for Lipids
    Chowdhary, Janamejaya
    Li, Hui
    Harder, Ed
    Lopes, Pedro
    MacKerell, Alex
    Roux, Benoit
    BIOPHYSICAL JOURNAL, 2013, 104 (02) : 31A - 31A