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
  • [31] Elastic Property of Dynein Motor Domain Obtained from All-Atom Molecular Dynamics Simulations in Explicit Water
    Kamiya, Narutoshi
    Mashimo, Tadaaki
    Takano, Yu
    Kon, Takahide
    Kurisu, Genji
    Nakamura, Haruki
    BIOPHYSICAL JOURNAL, 2015, 108 (02) : 466A - 466A
  • [32] All-atom virus simulations
    Hadden, Jodi A.
    Perilla, Juan R.
    CURRENT OPINION IN VIROLOGY, 2018, 31 : 82 - 91
  • [33] All-Atom Molecular Dynamics Simulations of Poly(ethylene glycol) Networks in Water for Evaluating Negative Energetic Elasticity
    Hagita, Katsumi
    Nagahara, Sota
    Murashima, Takahiro
    Sakai, Takamasa
    Sakumichi, Naoyuki
    MACROMOLECULES, 2023, 56 (20) : 8095 - 8105
  • [34] Correlation Length in Concentrated Electrolytes: Insights from All-Atom Molecular Dynamics Simulations
    Coles, Samuel W.
    Park, Chanbum
    Nikam, Rohit
    Kanduc, Matej
    Dzubiella, Joachim
    Rotenberg, Benjamin
    JOURNAL OF PHYSICAL CHEMISTRY B, 2020, 124 (09): : 1778 - 1786
  • [35] All-atom relativistic molecular dynamics simulations of channeling and radiation processes in oriented crystals
    Andrei V. Korol
    Gennady B. Sushko
    Andrey V. Solov’yov
    The European Physical Journal D, 2021, 75
  • [36] Assembling a xylanase-lichenase chimera through all-atom molecular dynamics simulations
    Cota, Junio
    Oliveira, Leandro C.
    Damasio, Andre R. L.
    Citadini, Ana P.
    Hoffmam, Zaira B.
    Alvarez, Thabata M.
    Codima, Carla A.
    Leite, Vitor B. P.
    Pastore, Glaucia
    de Oliveira-Neto, Mario
    Murakami, Mario T.
    Ruller, Roberto
    Squina, Fabio M.
    BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS, 2013, 1834 (08): : 1492 - 1500
  • [37] All-Atom Molecular Dynamics Simulations of the Temperature Response of Densely Grafted Polyelectrolyte Brushes
    Sachar, Harnoor Singh
    Chava, Bhargav Sai
    Pial, Turash Haque
    Das, Siddhartha
    MACROMOLECULES, 2021, 54 (13) : 6342 - 6354
  • [38] Evaluation of synaptotagmin-1 action models by all-atom molecular dynamics simulations
    Rizo, Josep
    Jaczynska, Klaudia
    Rosenmund, Christian
    FEBS OPEN BIO, 2025,
  • [39] Prediction of fold resistance for inhibitors of EGFR using all-atom molecular dynamics simulations
    Balius, Trent E.
    Rizzo, Robert C.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 238
  • [40] All-atom molecular dynamics simulations of the diglycosylated and membrane-bound prion protein
    DeMarco, ML
    Daggett, V
    GLYCOBIOLOGY, 2005, 15 (11) : 1235 - 1235
12345