A Multiscale Perturbation Expansion Approach for Markov State Modeling of Nonstationary Molecular Dynamics

2018 ◽  
Vol 16 (4) ◽  
pp. 1455-1485
Author(s):  
Péter Koltai ◽  
Christof Schütte
Keyword(s):  
Molecular Dynamics ◽  
Perturbation Expansion ◽  
Markov State ◽  
Markov State Modeling

scholarly journals Unfolding mechanism of thrombin-binding aptamer revealed by molecular dynamics simulation and Markov State Model

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Xiaojun Zeng ◽  
Liyun Zhang ◽  
Xiuchan Xiao ◽  
Yuanyuan Jiang ◽  
Yanzhi Guo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
State Model ◽  
Dynamics Simulation ◽  
Markov State Model ◽  
Markov State

scholarly journals The GPCR Opsin Translocates Lipids via a Dynamic Mechanism Specified by Markov State Model Analysis of Molecular Dynamics Trajectories

2018 ◽  
Vol 114 (3) ◽  
pp. 274a
Author(s):  
Giulia Morra ◽  
Asghar M. Razavi ◽  
Kalpana Pandey ◽  
Harel Weinstein ◽  
Anant K. Menon ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Model Analysis ◽  
Dynamic Mechanism ◽  
State Model ◽  
Markov State Model ◽  
Markov State

scholarly journals Markov state modeling of sliding friction

2016 ◽  
Vol 94 (5) ◽  
Author(s):  
F. Pellegrini ◽  
François P. Landes ◽  
A. Laio ◽  
S. Prestipino ◽  
E. Tosatti
Keyword(s):  
Sliding Friction ◽  
Markov State ◽  
Markov State Modeling
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