scholarly journals Improvements in Markov State Model Construction Reveal Many Non-Native Interactions in the Folding of NTL9

2013 ◽  
Vol 9 (4) ◽  
pp. 2000-2009 ◽  
Author(s):  
Christian R. Schwantes ◽  
Vijay S. Pande
Keyword(s):  
Model Construction ◽  
State Model ◽  
Markov State Model ◽  
Markov State

Elucidation of the conformational dynamics of multi-body systems by construction of Markov state models

2016 ◽  
Vol 18 (44) ◽  
pp. 30228-30235 ◽  
Author(s):  
Lizhe Zhu ◽  
Fu Kit Sheong ◽  
Xiangze Zeng ◽  
Xuhui Huang
Keyword(s):  
Conformational Dynamics ◽  
Efficient Estimation ◽  
Model Construction ◽  
State Model ◽  
Optimal State ◽  
Markov State Model ◽  
Markov State ◽  
Markov State Models ◽  
State Models ◽  
Multi Body

Recent algorithmic progresses in Markov State Model construction that enable optimal state definition and efficient estimation of the slow uphill kinetics are expected to boost investigations of complex multi-body processes.

scholarly journals A Markov-State Model for the Regulation of the Sarcoplasmic Reticulum Ca2+ ATPase by Phospholamban

2014 ◽  
Vol 106 (2) ◽  
pp. 116a
Author(s):  
Peter M. Kekenes-Huskey ◽  
Andy Edwards ◽  
Johan Hake ◽  
Anouchka Michailova ◽  
James A. McCammon ◽  
...  
Keyword(s):  
Sarcoplasmic Reticulum ◽  
State Model ◽  
Markov State Model ◽  
Markov State

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

An Integrated Markov State Model and Path Metadynamics Approach To Characterize Drug Binding Processes

2019 ◽  
Vol 15 (10) ◽  
pp. 5689-5702 ◽  
Author(s):  
Mattia Bernetti ◽  
Matteo Masetti ◽  
Maurizio Recanatini ◽  
Rommie E. Amaro ◽  
Andrea Cavalli
Keyword(s):  
Drug Binding ◽  
State Model ◽  
Markov State Model ◽  
Markov State
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