All-Atom Steered Molecular Dynamics Simulations of Large Proteins in a Small Water Box

被引：1
|
作者：
Wang, David [1 ]
Marszalek, Piotr E. [2 ]
机构：
[1] Duke Univ, Dept Phys, Durham, NC 27706 USA
[2] Duke Univ, Dept Mech Engn, Durham, NC USA
来源：
BIOPHYSICAL JOURNAL | 2019年 / 116卷 / 03期
关键词：
D O I：
10.1016/j.bpj.2018.11.1770
中图分类号：
Q6 [生物物理学];
学科分类号：
071011 ;
摘要：
1609-Plat
引用
收藏
页码：326A / 326A
页数：1
相关论文
共 50 条
  • [1] Titratable water model for all-atom molecular dynamics simulations
    Shen, Jana
    Chen, Wei
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 248
  • [2] Coupling all-atom molecular dynamics simulations of ions in water with Brownian dynamics
    Erban, Radek
    [J]. PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 2016, 472 (2186):
  • [3] Mechanism of Cardiac Tropomyosin Transitions on Filamentous Actin As Revealed by All-Atom Steered Molecular Dynamics Simulations
    Williams, Michael R.
    Tardiff, Jil C.
    Schwartz, Steven D.
    [J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 9 (12): : 3301 - 3306
  • [4] All-Atom Molecular Dynamics Simulations of Whole Viruses
    Tarasova, Elvira
    Nerukh, Dmitry
    [J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 9 (19): : 5805 - 5809
  • [5] All-atom generalized-ensemble simulations of small proteins
    Kinnear, BS
    Jarrold, MF
    Hansmann, UHE
    [J]. JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2004, 22 (05): : 397 - 403
  • [6] Reaching biological timescales with all-atom molecular dynamics simulations
    Zwier, Matthew C.
    Chong, Lillian T.
    [J]. CURRENT OPINION IN PHARMACOLOGY, 2010, 10 (06) : 745 - 752
  • [7] All-atom molecular dynamics simulations of polymer and polyelectrolyte brushes
    Ishraaq, Raashiq
    Das, Siddhartha
    [J]. CHEMICAL COMMUNICATIONS, 2024, 60 (48) : 6093 - 6129
  • [8] A Riemannian Framework for Tackling Large-Scale Conformational Changes of Proteins using All-ATOM Molecular Dynamics Simulations
    Moradi, Mahmoud
    [J]. BIOPHYSICAL JOURNAL, 2016, 110 (03) : 643A - 643A
  • [9] Anomalous Diffusion of Peripheral Membrane Signaling Proteins from All-Atom Molecular Dynamics Simulations
    Geragotelis, Andrew D.
    Freites, J. Alfredo
    Tobias, Douglas J.
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2021, 125 (35): : 9990 - 9998
  • [10] 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
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2024, : 25557 - 25566
12345