COMP 55-Toward a polarizable force field for membrane simulations

被引：0
|
作者：
Davis, Joseph E. [1 ]
Patel, Sandeep [1 ]
机构：
[1] Univ Delaware, Newark, DE 19716 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2008年 / 236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：
55-COMP
引用
收藏
页数：1
相关论文
共 50 条
  • [41] A Polarizable Force Field of Dipalmitoylphosphatidylcholine Based on the Classical Drude Model for Molecular Dynamics Simulations of Lipids
    Chowdhary, Janamejaya
    Harder, Edward
    Lopes, Pedro E. M.
    Huang, Lei
    MacKerell, Alexander D., Jr.
    Roux, Benoit
    JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 117 (31): : 9142 - 9160
  • [42] Polarizable force fields for molecular dynamics simulations of biomolecules
    Baker, Christopher M.
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2015, 5 (02) : 241 - 254
  • [43] Frequency-dependent Local Field Factors in Dielectric Liquids by a Polarizable Force Field and Molecular Dynamics Simulations
    Davari, Nazanin
    Haghdani, Shokouh
    Astrand, Per-Olof
    INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2015 (ICCMSE 2015), 2015, 1702
  • [44] Development of multipolar polarizable force field for molecular dynamics simulations of carbonate-based electrolytes
    Starovoytov, Oleg
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
  • [45] Developing and Applying Possim - a Fast Second-Order Polarizable Force Field for Biophysical Simulations
    Kaminski, George
    BIOPHYSICAL JOURNAL, 2013, 104 (02) : 506A - 506A
  • [46] Development of a Polarizable Force Field for Molecular Dynamics Simulations of Poly (Ethylene Oxide) in Aqueous Solution
    Starovoytov, Oleg N.
    Borodin, Oleg
    Bedrov, Dmitry
    Smith, Grant D.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2011, 7 (06) : 1902 - 1915
  • [47] Polarizable Mean-Field Model of Water for Biological Simulations with AMBER and CHARMM Force Fields
    Leontyev, Igor V.
    Stuchebrukhov, Alexei A.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2012, 8 (09) : 3207 - 3216
  • [48] Polarizable force field parameterization and theoretical simulations of ThCl4-LiCl molten salts
    Liu, Jian-Biao
    Chen, Xin
    Lu, Jun-Bo
    Cui, Hong-Qiang
    Li, Jun
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2018, 39 (29) : 2432 - 2438
  • [49] Toward a comprehensive polarizable macromolecular force field based on the CHARMM classical drude oscillator model
    MacKerell, Alexander D., Jr.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 245
  • [50] COMP 362-Evolving force fields for implicit solvent and polarizable intermolecular interactions
    Brooks, Charles L., III
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2008, 236
12345