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
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2016年 / 251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：
88
引用
收藏
页数：1
相关论文
共 50 条
  • [21] Polarizable atomic multipole-based AMOEBA force field for proteins
    Ren, Pengyu
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 245
  • [22] Automation of AMOEBA polarizable force field for small molecules: Poltype 2
    Walker, Brandon
    Liu, Chengwen
    Wait, Elizabeth
    Ren, Pengyu
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2022, 43 (23) : 1530 - 1542
  • [23] AMOEBA Polarizable Force Field for Molecular Dynamics Simulations of Glyme Solvents
    Binninger, Tobias
    Sarac, Defne
    Marsh, Liam
    Picard, Tanguy
    Doublet, Marie-Liesse
    Raynaud, Christophe
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023, : 1023 - 1034
  • [24] Accurate Host-Guest Binding Free Energies Using the AMOEBA Polarizable Force Field
    Chung, Moses K. J.
    Miller, Ryan J.
    Novak, Borna
    Wang, Zhi
    Ponder, Jay W.
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2023, 63 (09) : 2769 - 2782
  • [25] Development of polarizable, multipole-based AMOEBA plus force field
    Ren, Pengyu
    Liu, Chengwen
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
  • [26] Vibrational mode assignment of finite temperature infrared spectra using the AMOEBA polarizable force field
    Thaunay, Florian
    Dognon, Jean-Pierre
    Ohanessian, Gilles
    Clavaguera, Carine
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 17 (39) : 25968 - 25977
  • [27] Biomolecular Simulations in a Continuum Ionic Solvent with Polarizable Force Fields, Using Python']Python and GPUs
    Cooper, Christopher D.
    BIOPHYSICAL JOURNAL, 2018, 114 (03) : 676A - 676A
  • [28] Mode specific THz spectra of solvated amino acids using the AMOEBA polarizable force field
    Esser, Alexander
    Belsare, Saurabh
    Marx, Dominik
    Head-Gordon, Teresa
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 19 (07) : 5579 - 5590
  • [29] May the (dual) force be with you: Polarizable AMOEBA free energies at the speed of fixed charge force fields
    Nessler, Ian
    Park, Jooyeon
    Stevens, Lewis
    Schnieders, Michael
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 250
  • [30] Polarizable Amoeba Force Field Metadynamics with Minimization Predicts Missing Protein Loops
    Avdic, Armin
    Tollefson, Mallory R.
    Tatro, Nicole
    LuCore, Stephen D.
    Litman, Jacob M.
    Fenn, Timothy D.
    Schnieders, Michael J.
    BIOPHYSICAL JOURNAL, 2017, 112 (03) : 55A - 55A
12345