Polarizable force field for RNA based on the classical Drude oscillator

被引:0
|
作者
Lemkul, Justin [2 ]
Mackerell, Alexander [1 ]
机构
[1] Univ Maryland, Pharm, Baltimore, MD 21201 USA
[2] Univ Maryland, Pharmaceut Sci, Silver Spring, MD USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
64
引用
收藏
页数:1
相关论文
共 50 条
  • [41] Optimization of the Drude polarizable protein force field
    Lin, Fang Yu
    Mackerell, Alexander
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
  • [42] Polarizable Force Field for DNA Based on the Classical Drude Oscillator: l. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics
    Lemkul, Justin A.
    MacKerell, Alexander D., Jr.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 13 (05) : 2053 - 2071
  • [43] Revised 4-Point Water Model for the Classical Drude Oscillator Polarizable Force Field: SWM4-HLJ
    Teng, Xiaojing
    Yu, Wenbo
    MacKerell Jr, Alexander D.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, 20 (22) : 10034 - 10044
  • [44] CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field
    Kognole, Abhishek A.
    Lee, Jumin
    Park, Sang-Jun
    Jo, Sunhwan
    Chatterjee, Payal
    Lemkul, Justin A.
    Huang, Jing
    MacKerell, Alexander D., Jr.
    Im, Wonpil
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2022, 43 (05) : 359 - 375
  • [45] Development of the Charmm Polarizable Force Field for Polypeptides Based on Drude Oscillators
    Lopes, Pedro E. M.
    Zhu, Xiao
    Lau, Albert
    Roux, Benoit
    MacKerell, Alexander D., Jr.
    BIOPHYSICAL JOURNAL, 2011, 100 (03) : 612 - 612
  • [46] Accurate Modeling of RNA Hairpins Through the Explicit Treatment of Electronic Polarizability with the Classical Drude Oscillator Force Field
    Sengul, Mert Y.
    MacKerell, Alexander D.
    JOURNAL OF COMPUTATIONAL BIOPHYSICS AND CHEMISTRY, 2022, 21 (04): : 461 - 471
  • [47] CHARMM drude polarizable force field for the alcohol series
    Anisimov, Victor M.
    Roux, Benoit
    MacKerell, Alexander D., Jr.
    BIOPHYSICAL JOURNAL, 2007, : 152A - 152A
  • [48] Ongoing developments in the Drude polarizable force field for biomolecules
    Mackerell, Alexander
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 252
  • [49] Optimization of the CHARMM Drude polarizable force field for DNA
    Savelyev, Alexey
    Baker, Chris
    Mackerell, Alexander
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 244
  • [50] Parametrization of the drude polarizable force field for halogenated compounds
    Lin, Fang Yu
    Mackerell, Alexander
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 254