The Role of Calcium in Regulating the Conformational Dynamics of d-Galactose/d-Glucose-Binding Protein Revealed by Markov State Model Analysis

2021 ◽  
Vol 61 (2) ◽  
pp. 891-900
Author(s):  
Maohua Yang ◽  
Yegen Tang ◽  
Jingwei Weng ◽  
Zhijun Liu ◽  
Wenning Wang
Keyword(s):  
Binding Protein ◽  
Conformational Dynamics ◽  
Model Analysis ◽  
State Model ◽  
Markov State Model ◽  
Markov State ◽  
Glucose Binding ◽  
Glucose Binding Protein

scholarly journals Quantitatively Characterizing the Ligand Binding Mechanisms of Choline Binding Protein Using Markov State Model Analysis

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Vol 10 (8) ◽  
pp. e1003767 ◽  
Author(s):  
Shuo Gu ◽  
Daniel-Adriano Silva ◽  
Luming Meng ◽  
Alexander Yue ◽  
Xuhui Huang
Keyword(s):  
Ligand Binding ◽  
Binding Protein ◽  
Model Analysis ◽  
State Model ◽  
Markov State Model ◽  
Markov State ◽  
Binding Mechanisms

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

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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

Pressure effect on the stability and the conformational dynamics of the D-Galactose/D-Glucose-binding protein from Escherichia coli

2005 ◽  
Vol 62 (1) ◽  
pp. 193-201 ◽  
Author(s):  
Anna Marabotti ◽  
Petr Herman ◽  
Maria Staiano ◽  
Antonio Varriale ◽  
Marcella de Champdoré ◽  
...  
Keyword(s):  
Escherichia Coli ◽  
Pressure Effect ◽  
Binding Protein ◽  
Conformational Dynamics ◽  
Glucose Binding ◽  
The Stability ◽  
Glucose Binding Protein

Position-Dependent Diffusion from Biased Simulations and Markov State Model Analysis

2021 ◽  
Vol 17 (4) ◽  
pp. 2022-2033
Author(s):  
François Sicard ◽  
Vladimir Koskin ◽  
Alessia Annibale ◽  
Edina Rosta
Keyword(s):  
Model Analysis ◽  
State Model ◽  
Markov State Model ◽  
Markov State

scholarly journals Discovery of Novel GR Ligands toward Druggable GR Antagonist Conformations Identified by MD Simulations and Markov State Model Analysis

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pp. 2102435
Author(s):  
Xueping Hu ◽  
Jinping Pang ◽  
Jintu Zhang ◽  
Chao Shen ◽  
Xin Chai ◽  
...  
Keyword(s):  
Md Simulations ◽  
Model Analysis ◽  
State Model ◽  
Markov State Model ◽  
Markov State

Revealing Thermodynamics and Kinetics of Lipid Self-Assembly by Markov State Model Analysis

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Vol 142 (51) ◽  
pp. 21344-21352
Author(s):  
Jingwei Weng ◽  
Maohua Yang ◽  
Wenning Wang ◽  
Xin Xu ◽  
Zhongqun Tian
Keyword(s):  
Self Assembly ◽  
Model Analysis ◽  
State Model ◽  
Markov State Model ◽  
Thermodynamics And Kinetics ◽  
Markov State ◽  
Kinetics Of

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.

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