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

页数：1

共 50 条

[41] Experimental accuracy in protein structure refinement via molecular dynamics simulations
Heo, Lim
Feig, Michael
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2018, 115 (52) : 13276 - 13281
[42] Modern protein force fields behave comparably in molecular dynamics simulations
Price, DJ
Brooks, CL
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2002, 23 (11) : 1045 - 1057
[43] Local Protein Structure Refinement via Molecular Dynamics Simulations with locPREFMD
Feig, Michael
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2016, 56 (07) : 1304 - 1312
[44] REFINEMENT OF MOLECULAR EFFECTIVE FORCE FIELDS AND STRUCTURES TO COMPLETE FORCE FIELD AND GEOMETRICAL STRUCTURE CORRESPONDING TO EQUILIBRIUM CONFIGURATION
BARCAGAL.D
GAVRILA, D
IORDACHE, D
REVUE ROUMAINE DE PHYSIQUE, 1972, 17 (02): : 211 - &
[45] United-Atom Discrete Molecular Dynamics of Proteins Using Physics-Based Potentials
Emperador, Agusti
Meyer, Tim
Orozco, Modesto
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2008, 4 (12) : 2001 - 2010
[46] Molecular dynamics simulations to study the solvent influence on protein structure
Dominguez, Hector
CHEMICAL PHYSICS LETTERS, 2016, 651 : 92 - 96
[47] Physical scoring function based on AMBER force field and Poisson-Boltzmann implicit solvent for protein structure prediction
Hsieh, MJ
Luo, R
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2004, 56 (03) : 475 - 486
[48] Protein Structure Refinement through Structure Selection and Averaging from Molecular Dynamics Ensembles
Mirjalili, Vahid
Feig, Michael
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2013, 9 (02) : 1294 - 1303
[49] Stability of the β-structure in prion protein: A molecular dynamics study based on polarized force field
Xu, Zhijun
Lazim, Raudah
Mei, Ye
Zhang, Dawei
CHEMICAL PHYSICS LETTERS, 2012, 539 : 239 - 244
[50] Comparison between Ab Initio Molecular Dynamics and OPLS-Based Force Fields for Ionic Liquid Solvent Organization
Yue, Kun
Doherty, Brian
Acevedo, Orlando
JOURNAL OF PHYSICAL CHEMISTRY B, 2022, 126 (21) : 3908 - 3919

← 1 2 3 4 5 →