Electric fields in biomolecular systems using the AMOEBA polarizable force field

被引:0
|
作者
Bradshaw, Richard [1 ]
Essex, Jonathan [1 ]
机构
[1] Univ Southampton, Chem, Southampton, Hants, England
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
88
引用
收藏
页数:1
相关论文
共 50 条
  • [41] Deriving a Polarizable Force Field for Biomolecular Building Blocks with Minimal Empirical Calibration
    Visscher, Koen M.
    Geerke, Daan P.
    JOURNAL OF PHYSICAL CHEMISTRY B, 2020, 124 (09): : 1628 - 1636
  • [42] Balancing monoatomic ion-biomolecular interactions in the polarizable Drude force field
    Nan, Yiling
    MacKerell, Alexander D.
    BIOPHYSICAL JOURNAL, 2024, 123 (03) : 474A - 474A
  • [43] Computational study on the binding of Mango-II RNA aptamer and fluorogen using the polarizable force field AMOEBA
    Yang, Xudong
    Liu, Chengwen
    Kuo, Yu-An
    Yeh, Hsin-Chih
    Ren, Pengyu
    FRONTIERS IN MOLECULAR BIOSCIENCES, 2022, 9
  • [44] Accelerated Molecular Dynamics Simulations with the AMOEBA Polarizable Force Field on Graphics Processing Units
    Lindert, Steffen
    Bucher, Denis
    Eastman, Peter
    Pande, Vijay
    McCammon, J. Andrew
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2013, 9 (11) : 4684 - 4691
  • [45] Current Status of AMOEBA-IL: A Multipolar/Polarizable Force Field for Ionic Liquids
    Vazquez-Montelongo, Erik Antonio
    Vazquez-Cervantes, Jose Enrique
    Cisneros, G. Andres
    INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2020, 21 (03)
  • [46] Polarizable QM/MM based on the AMOEBA force field and linear-scaling DFT
    Dziedzic, Jacek
    Head-Gordon, Martin
    Head-Gordon, Teresa
    Skylaris, Chris-Kriton
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 250
  • [47] Evaluating Parametrization Protocols for Hydration Free Energy Calculations with the AMOEBA Polarizable Force Field
    Bradshaw, Richard T.
    Essex, Jonathan W.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 12 (08) : 3871 - 3883
  • [48] Polarizable QM/MM based on the AMOEBA force field and linear-scaling DFT
    Dziedzic, Jacek
    Mao, Yuezhi
    Shao, Yihan
    Head-Gordon, Martin
    Head-Gordon, Teresa
    Skylaris, Chris-Kriton
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 252
  • [50] Polarizable QM/MM based on the AMOEBA force field and linear-scaling DFT
    Dziedzic, Jacek
    Head-Gordon, Martin
    Head-Gordon, Teresa
    Skylaris, Chris-Kriton
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251