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
  • [21] Development of polarizable force field for molecular mechanical calculations of proteins by quantitative comparison with experimental data
    Duan, Yong
    Cai, Qin
    Cieplak, Piotr
    Wang, Junmei
    Hsieh, MengJuei
    Luo, Ray
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 243
  • [22] Development of the Charmm Polarizable Force Field for Polypeptides Based on Drude Oscillators
    Lopes, Pedro E. M.
    Zhu, Xiao
    Lau, Albert
    Roux, Benoit
    MacKerell, Alexander D., Jr.
    BIOPHYSICAL JOURNAL, 2011, 100 (03) : 612 - 612
  • [23] Polarizable Atomic Multipole-Based AMOEBA Force Field for Proteins
    Shi, Yue
    Xia, Zhen
    Zhang, Jiajing
    Best, Robert
    Wu, Chuanjie
    Ponder, Jay W.
    Ren, Pengyu
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2013, 9 (09) : 4046 - 4063
  • [24] Towards a Polarizable Force Field for RNA based on the Classical Drude Oscillator
    Lemkul, Justin A.
    Savelyev, Alexey
    MacKerell, Alexander D., Jr.
    BIOPHYSICAL JOURNAL, 2015, 108 (02) : 159A - 159A
  • [25] Polarizable atomic multipole-based AMOEBA force field for proteins
    Ren, Pengyu
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 245
  • [26] A general intermolecular force field based on tight-binding quantum chemical calculations
    Grimme, Stefan
    Bannwarth, Christoph
    Caldeweyher, Eike
    Pisarek, Jana
    Hansen, Andreas
    JOURNAL OF CHEMICAL PHYSICS, 2017, 147 (16):
  • [27] Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator
    Lin, Fang-Yu
    Lopes, Pedro E. M.
    Harder, Edward
    Roux, Benoit
    MacKerell, Alexander D., Jr.
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2018, 58 (05) : 993 - 1004
  • [28] Polarizable Multipole-Based Force Field for Dimethyl and Trimethyl Phosphate
    Zhang, Changsheng
    Lu, Chao
    Wang, Qiantao
    Ponder, Jay W.
    Ren, Pengyu
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015, 11 (11) : 5326 - 5339
  • [29] Development of a Polarizable Force Field for Macromolecules Based on the Classical Drude Oscillator
    Lopes, Pedro E. M.
    Huang, Jing
    Shim, Jihyun
    Luo, Yun
    Li, Hui
    Savelyev, Alexey
    Patel, Dhilon
    He, Xibing
    Roux, Benoit
    MacKerell, Alexander D., Jr.
    BIOPHYSICAL JOURNAL, 2014, 106 (02) : 43A - 43A
  • [30] Polarizable Force Field for Peptides and Proteins Based on the Classical Drude Oscillator
    Lopes, Pedro E. M.
    Huang, Jing
    Shim, Jihyun
    Luo, Yun
    Li, Hui
    Roux, Benoit
    MacKerell, Alexander D., Jr.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2013, 9 (12) : 5430 - 5449