Protein structure refinement promoted by Molecular Dynamics, physics-based force fields and implicit solvent

被引：0
|
作者：
Huang, He [1 ,2 ]
Hai Nguyen [1 ,2 ]
Maier, James [2 ,4 ]
Perrone, Victoria [1 ]
Simmerling, Carlos [2 ,3 ]
机构：
[1] SUNY Stony Brook, Chem, Stony Brook, NY 11794 USA
[2] Laufer Ctr Phys & Quantitat Biol, Stony Brook, NY USA
[3] SUNY Stony Brook, Stony Brook, NY 11794 USA
[4] SUNY Stony Brook, Grad Program Biochem & Struct Biol, Stony Brook, NY 11794 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2015年 / 250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：
232
引用
收藏
页数：1
相关论文
共 50 条
  • [21] COMP 8-Multiplexed replica exchange molecular dynamics simulations of protein folding with a physics-based coarse-grained force field
    Czaplewski, Czarek
    Kalinowski, Sebastian
    Liwo, Adam
    Oldziej, Stanislaw
    Scheraga, Harold A.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2008, 235
  • [22] Quantification of Anisotropy in Exchange and Dispersion Interactions: A Simple Model for Physics-Based Force Fields
    Kriz, Kristian
    van der Spoel, David
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2024, 15 (39): : 9974 - 9978
  • [23] Effects of force fields for refining protein NMR structures with atomistic force fields and generalized-Born implicit solvent model
    Jee, Jun-Goo
    JOURNAL OF THE KOREAN MAGNETIC RESONANCE SOCIETY, 2014, 18 (01): : 24 - 29
  • [24] Implicit solvent models for flexible protein-protein docking by molecular dynamics simulation
    Wang, T
    Wade, RC
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2003, 50 (01) : 158 - 169
  • [25] Structure and dynamics of intrinsically disordered proteins from a physics-based model
    Mittal, Jeetain
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
  • [26] Implicit solvent effective potentials for simulations of protein structure and dynamics: The AGBNP effective potential with applications to protein-ligand binding, and crystallographic refinement
    Levy, Ronald M.
    Felts, Anthony K.
    Gallicchio, Emilio
    Knight, Jennifer
    Zhou, Zhiyong
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 233 : 147 - 147
  • [27] UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics
    Czaplewski, Cezary
    Karczynska, Agnieszka
    Sieradzan, Adam K.
    Liwo, Adam
    NUCLEIC ACIDS RESEARCH, 2018, 46 (W1) : W304 - W309
  • [28] High-accuracy protein structures by combining machine-learning with physics-based refinement
    Heo, Lim
    Feig, Michael
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2020, 88 (05) : 637 - 642
  • [29] Refinement of Protein NMR Structure under Membrane-like Environments with an Implicit Solvent Model
    Jee, JunGoo
    Ahn, Hee-Chul
    BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 2009, 30 (05) : 1139 - 1142
  • [30] Refinement of protein NMR structures using atomistic force field and implicit solvent model: Comparison of the accuracies of NMR structures with Rosetta refinement
    Jee, Jun-Goo
    JOURNAL OF THE KOREAN MAGNETIC RESONANCE SOCIETY, 2022, 26 (01): : 1 - 9
12345