An all-atom/coarse-grained hybrid approach to study membrane processes

被引:0
|
作者
Genheden, S. [1 ]
Lee, A. [2 ]
Essex, J. [1 ]
机构
[1] Univ Southampton, Sch Chem, Southampton SO17 1BJ, Hants, England
[2] Univ Southampton, Ctr Biol Sci, Southampton SO17 1BJ, Hants, England
关键词
D O I
暂无
中图分类号
Q6 [生物物理学];
学科分类号
071011 ;
摘要
O-391
引用
收藏
页码:S145 / S145
页数:1
相关论文
共 50 条
  • [1] A Simple and Transferable All-Atom/Coarse-Grained Hybrid Model to Study Membrane Processes
    Genheden, Samuel
    Essex, Jonathan W.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015, 11 (10) : 4749 - 4759
  • [2] A Hybrid All-Atom/Coarse-Grained Approach to Problems in Chemistry and Biology
    Genheden, Samuel
    BIOPHYSICAL JOURNAL, 2017, 112 (03) : 177A - 177A
  • [3] On electrostatic coupling in hybrid all-atom/coarse-grained biomolecular simulations
    Schaefer, Lars V.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246
  • [4] Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models
    Samuel Genheden
    Journal of Computer-Aided Molecular Design, 2017, 31 : 867 - 876
  • [5] Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models
    Genheden, Samuel
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2017, 31 (10) : 867 - 876
  • [6] All-atom and coarse-grained force fields for polydimethylsiloxane
    Huang, Hao
    Cao, Fenglei
    Wu, Liang
    Sun, Huai
    MOLECULAR SIMULATION, 2017, 43 (18) : 1513 - 1522
  • [7] Predicting Partition Coefficients with a Simple All-Atom/Coarse-Grained Hybrid Model
    Genheden, Samuel
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 12 (01) : 297 - 304
  • [8] Molecular Insight into the Toughness of Polyureas: A Hybrid All-Atom/Coarse-Grained Molecular Dynamics Study
    Zheng, Tianze
    Li, Ting
    Shi, Jiaxin
    Wu, Tianyu
    Zhuang, Zhuo
    Xu, Jun
    Guo, Baohua
    MACROMOLECULES, 2022, 55 (08) : 3020 - 3029
  • [9] All-atom/coarse-grained hybrid predictions of distribution coefficients in SAMPL5
    Samuel Genheden
    Jonathan W. Essex
    Journal of Computer-Aided Molecular Design, 2016, 30 : 969 - 976
  • [10] All-Atom and Coarse-Grained Molecular Dynamics Simulations of a Membrane Protein Stabilizing Polymer
    Perlmutter, Jason D.
    Drasler, William J., II
    Xie, Wangshen
    Gao, Jiali
    Popot, Jean-Luc
    Sachs, Jonathan N.
    LANGMUIR, 2011, 27 (17) : 10523 - 10537