FLUKE: An open-source QMMM interface for simulations with polarizable force fields

被引：0
|
作者：
Kratz, Eric [1 ]
Cisneros, Gerardo [1 ]
机构：
[1] Wayne State Univ, Dept Chem, Detroit, MI 48202 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2015年 / 250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：
83
引用
收藏
页数：1
相关论文
共 50 条
  • [1] Polarizable Force Fields for Protein Simulations
    Kaminski, George
    BIOPHYSICAL JOURNAL, 2009, 96 (03) : 601A - 602A
  • [2] Polarizable force fields for molecular dynamics simulations of biomolecules
    Baker, Christopher M.
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2015, 5 (02) : 241 - 254
  • [3] Flame simulations with an open-source code
    Dasgupta, Adhiraj
    Gonzalez-Juez, Esteban
    Haworth, Daniel C.
    COMPUTER PHYSICS COMMUNICATIONS, 2019, 237 : 219 - 229
  • [4] Polarizable Force Fields for Biomolecular Simulations: Recent Advances and Applications
    Jing, Zhifeng
    Liu, Chengwen
    Cheng, Sara Y.
    Qi, Rui
    Walker, Brandon D.
    Piquemal, Jean-Philip
    Ren, Pengyu
    ANNUAL REVIEW OF BIOPHYSICS, VOL 48, 2019, 48 : 371 - 394
  • [5] Polarizable force fields for Monte Carlo and molecular dynamics simulations
    Jordan, Kenneth D.
    DeFusco, Albert A., III
    Jiang, Hao
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 232 : 922 - 922
  • [6] FrameForm: An Open-source Annotation Interface for FrameNet
    Marsan, Busra
    Yildiz, Olcay Taner
    EACL 2021: THE 16TH CONFERENCE OF THE EUROPEAN CHAPTER OF THE ASSOCIATION FOR COMPUTATIONAL LINGUISTICS: PROCEEDINGS OF THE SYSTEM DEMONSTRATIONS, 2021, : 257 - 262
  • [7] oneAPI Open-Source Math Library Interface
    Krainiuk, Mariia
    Goli, Mehdi
    Pascuzzi, Vincent R.
    PROCEEDINGS OF 2021 INTERNATIONAL WORKSHOP ON PERFORMANCE, PORTABILITY & PRODUCTIVITY IN HPC (P3HPC 2021), 2021, : 22 - 32
  • [8] A Scalable and Efficient Approach to Polarizable Force Fields in Molecular Dynamics Simulations
    Coles, Jonathan P.
    Masella, Michel
    BIOPHYSICAL JOURNAL, 2018, 114 (03) : 675A - 675A
  • [9] Matching of Additive and Polarizable Force Fields for Multiscale Condensed Phase Simulations
    Baker, Christopher M.
    Best, Robert B.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2013, 9 (06) : 2826 - 2837
  • [10] Molecular dynamics simulations of methane hydrate using polarizable force fields
    Jiang, Hao
    Jordan, Kenneth D.
    Taylor, Charles
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 233
12345