Polarizable atomic multipole-based AMOEBA force field for proteins

被引：0
|
作者：
Ren, Pengyu [1 ]
机构：
[1] Univ Texas Austin, BME, Austin, TX 78712 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2013年 / 245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：
89-COMP
引用
收藏
页数：1
相关论文
共 50 条
  • [1] 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
  • [2] Development of polarizable, multipole-based AMOEBA plus force field
    Ren, Pengyu
    Liu, Chengwen
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
  • [3] Polarizable atomic multipole-based force field for cholesterol
    Li, Yan
    Liu, Ye
    Yang, Boya
    Li, Guohui
    Chu, Huiying
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2024, 42 (15): : 7747 - 7757
  • [4] Polarizable atomic multipole-based force field for DOPC and POPE membrane lipids
    Chu, Huiying
    Peng, Xiangda
    Li, Yan
    Zhang, Yuebin
    Min, Hanyi
    Li, Guohui
    MOLECULAR PHYSICS, 2018, 116 (7-8) : 1037 - 1050
  • [5] AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids
    Zhang, Changsheng
    Lu, Chao
    Jing, Zhifeng
    Wu, Chuanjie
    Piquemal, Jean-Philip
    Ponder, Jay W.
    Ren, Pengyu
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 14 (04) : 2084 - 2108
  • [6] Implicit Solvents for the Polarizable Atomic Multipole AMOEBA Force Field
    Corrigan, Rae A.
    Qi, Guowei
    Thiel, Andrew C.
    Lynn, Jack R.
    Walker, Brandon D.
    Casavant, Thomas L.
    Lagardere, Louis
    Piquemal, Jean-Philip
    Ponder, Jay W.
    Ren, Pengyu
    Schnieders, Michael J.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 17 (04) : 2323 - 2341
  • [7] A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids
    Chu, Huiying
    Peng, Xiangda
    Li, Yan
    Zhang, Yuebin
    Li, Guohui
    MOLECULES, 2018, 23 (01):
  • [8] 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
  • [9] Polarizable Multipole-Based Force Field for Aromatic Molecules and Nucleobases
    Zhang, Changsheng
    Bell, David
    Harger, Matthew
    Ren, Pengyu
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 13 (02) : 666 - 678
  • [10] Constant-pH Simulations with the Polarizable Atomic Multipole AMOEBA Force Field
    Thiel, Andrew C.
    Speranza, Matthew J.
    Jadhav, Sanika
    Stevens, Lewis L.
    Unruh, Daniel K.
    Ren, Pengyu
    Ponder, Jay W.
    Shen, Jana
    Schnieders, Michael J.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, 20 (07) : 2921 - 2933
12345