Improved Kinetics of Molecular Simulations using Biased Markov State Models

被引：1

作者：

Rudzinski, Joseph F. ^{[1
]}

Kremer, Kurt ^{[1
]}

Bereau, Tristan ^{[1
]}

机构：

[1] Max Planck Inst Polymer Res, Theory Grp, Mainz, Germany

来源：

BIOPHYSICAL JOURNAL | 2016年 / 110卷 / 03期

关键词：

D O I：

10.1016/j.bpj.2015.11.2800

中图分类号：

Q6 [生物物理学];

学科分类号：

071011 ;

摘要：

2580-Plat

引用

页码：523A / 523A

页数：1

共 50 条

[21] Combination of Markov State Models and Kinetic Networks for the Analysis of Molecular Dynamics Simulations of Peptide Folding [J].

Radford, Isolde H. ;

Fersht, Alan R. ;

Settanni, Giovanni .

JOURNAL OF PHYSICAL CHEMISTRY B, 2011, 115 (22) :7459-7471

[22] Membrane Interactions of α-Synuclein Revealed by Multiscale Molecular Dynamics Simulations, Markov State Models, and NMR [J].

Amos, Sarah-Beth T. A. ;

Schwarz, Thomas C. ;

Shi, Jiye ;

Cossins, Benjamin P. ;

Baker, Terry S. ;

Taylor, Richard J. ;

Konrat, Robert ;

Sansom, Mark S. P. .

JOURNAL OF PHYSICAL CHEMISTRY B, 2021, 125 (11) :2929-2941

[23] Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State Models [J].

Linker, Stephanie Maria ;

Magarkar, Aniket ;

Koefinger, Juergen ;

Hummer, Gerhard ;

Seeliger, Daniel .

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019, 15 (09) :4974-4981

[24] Identification of a Cryptic Pocket in Methionine Aminopeptidase-II Using Adaptive Bandit Molecular Dynamics Simulations and Markov State Models [J].

Rubin ;

Moin, Syed Tarique ;

Haider, Shozeb .

ACS OMEGA, 2024, 9 (26) :28534-28545

[25] Improved Estimates of Folding Stabilities and Kinetics with Multiensemble Markov Models [J].

Zhang, Si ;

Ge, Yunhui ;

Voelz, Vincent A. .

BIOCHEMISTRY, 2024, 63 (22) :3045-3056

[26] Kinetics of CO2 diffusion in human carbonic anhydrase: a study using molecular dynamics simulations and the Markov-state model [J].

Chen, Gong ;

Kong, Xian ;

Lu, Diannan ;

Wu, Jianzhong ;

Liu, Zheng .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 19 (18) :11690-11697

[27] Position-Dependent Diffusion from Biased Simulations and Markov State Model Analysis [J].

Sicard, Francois ;

Koskin, Vladimir ;

Annibale, Alessia ;

Rosta, Edina .

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 17 (04) :2022-2033

[28] MSMExplorer: visualizing Markov state models for biomolecule folding simulations [J].

Cronkite-Ratcliff, Bryce ;

Pande, Vijay .

BIOINFORMATICS, 2013, 29 (07) :950-952

[29] Hidden Markov models from molecular dynamics simulations on DNA [J].

Thayer, KM ;

Beveridge, DL .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2002, 99 (13) :8642-8647

[30] State estimation in pairwise Markov models with improved robustness using unbiased FIR filtering [J].

Lehmann, Frederic ;

Pieczynski, Wojciech .

SIGNAL PROCESSING, 2020, 172

← 1 2 3 4 5 →