Titratable water model for all-atom molecular dynamics simulations

被引：0
|
作者：
Shen, Jana [1 ]
Chen, Wei [1 ]
机构：
[1] Univ Maryland, Dept Pharmaceut Sci, Baltimore, MD 21201 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2014年 / 248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：
52-COMP
引用
收藏
页数：1
相关论文
共 50 条
  • [41] All-Atom Molecular Dynamics Simulations of Cationic Polyelectrolyte Brushes in the Presence of Halide Counterions
    Ishraaq, Raashiq
    Das, Siddhartha
    MACROMOLECULES, 2024, 57 (07) : 3037 - 3046
  • [42] The Distributions and Orientations of Retinoids in Retinal Membranes Studied with All-Atom Molecular Dynamics Simulations
    Lu, Jinju
    Vorobyov, Igor
    Allen, Toby W.
    BIOPHYSICAL JOURNAL, 2014, 106 (02) : 499A - 499A
  • [43] Species specificity of the complement inhibitor compstatin investigated by all-atom molecular dynamics simulations
    Tamamis, Phanourios
    Morikis, Dimitrios
    Floudas, Christodoulos A.
    Archontis, Georgios
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2010, 78 (12) : 2655 - 2667
  • [44] Membrane Binding and Insertion of a pHLIP Peptide Studied by All-Atom Molecular Dynamics Simulations
    Deng, Yonghua
    Qian, Zhenyu
    Luo, Yin
    Zhang, Yun
    Mu, Yuguang
    Wei, Guanghong
    INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2013, 14 (07) : 14532 - 14549
  • [45] All-atom relativistic molecular dynamics simulations of channeling and radiation processes in oriented crystals
    Korol, Andrei V.
    Sushko, Gennady B.
    Solov'yov, Andrey V.
    EUROPEAN PHYSICAL JOURNAL D, 2021, 75 (03):
  • [46] High-Throughput All-Atom Molecular Dynamics Simulations Using Distributed Computing
    Buch, I.
    Harvey, M. J.
    Giorgino, T.
    Anderson, D. P.
    De Fabritiis, G.
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2010, 50 (03) : 397 - 403
  • [47] All-atom molecular dynamics simulations showing the dynamics of small organic molecules in water-solvated polyelectrolyte brush layers
    Smook, Leon A.
    Ishraaq, Raashiq
    Akash, Tanmay Sarkar
    de Beer, Sissi
    Das, Siddhartha
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2024, 26 (39) : 25557 - 25566
  • [48] Analysis of Gas Nanoclusters in Water Using All-Atom Molecular Dynamics br
    Yen, Tsu-Hsu
    Chen, Yeng-Long
    LANGMUIR, 2022, 38 (43) : 13195 - 13205
  • [49] Dynamics of Melttin Pores in Liposomes Probed by All-Atom Simulations
    Lin, Jung-Hsin
    BIOPHYSICAL JOURNAL, 2020, 118 (03) : 382A - 382A
  • [50] In-Cell Dynamics: The Next Focus of All-Atom Simulations
    Russell, Premila P. Samuel
    Alaeen, Sepehr
    Pogorelov, Taras V.
    JOURNAL OF PHYSICAL CHEMISTRY B, 2023, 127 (46): : 9863 - 9872
12345