Ions without charges, hydrogen-bonds without hydrogens: Building coarse-grained models with short-range, anisotropic interactions

被引:0
|
作者
Molinero, Valeria [1 ]
机构
[1] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA
关键词
WATER;
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
482-COMP
引用
收藏
页数:1
相关论文
共 7 条
  • [1] Mimicking coarse-grained simulations without coarse-graining: Enhanced sampling by damping short-range interactions
    Wei, Dongshan
    Wang, Feng
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (08):
  • [2] Mimicking coarse-grained simulations without coarse-graining: Enhanced sampling by damping short-range interactions
    Wang, Feng
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 240
  • [3] Mimicking coarse-grained simulations without coarse-graining: Enhanced sampling by damping short-range interactions
    Wang, Feng
    Wei, Dongshan
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 240
  • [4] Coarse-grained ions without charges: Reproducing the solvation structure of NaCl in water using short-ranged potentials
    DeMille, Robert C.
    Molinero, Valeria
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2009, 131 (03):
  • [5] Stability and Metastability of Liquid Water in a Machine-Learned Coarse-Grained Model with Short-Range Interactions
    Dhabal, Debdas
    Sankaranarayanan, Subramanian K. R. S.
    Molinero, Valeria
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2022, 126 (47): : 9881 - 9892
  • [6] PHYS 406-Coarse-grained ions without charges: Improving computational efficiency by eliminating electrostatic interactions
    DeMille, Robert C.
    Molinero, Valeria
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 237
  • [7] Coarse-Grained Molecular Dynamics Simulations for Understanding the Impact of Short-Range Anisotropic Attractions on Structure and Viscosity of Concentrated Monoclonal Antibody Solutions
    Chowdhury, Amjad
    Bollinger, Jonathan A.
    Dear, Barton J.
    Cheung, Jason K.
    Johnston, Keith P.
    Truskett, Thomas M.
    [J]. MOLECULAR PHARMACEUTICS, 2020, 17 (05) : 1748 - 1756