Exploring Transition Pathway and Free-Energy Profile of Large-Scale Protein Conformational Change by Combining Normal Mode Analysis and Umbrella Sampling Molecular Dynamics

2013 ◽  
Vol 118 (1) ◽  
pp. 134-143 ◽  
Author(s):  
Jinan Wang ◽  
Qiang Shao ◽  
Zhijian Xu ◽  
Yingtao Liu ◽  
Zhuo Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Conformational Change ◽  
Normal Mode ◽  
Large Scale ◽  
Normal Mode Analysis ◽  
Umbrella Sampling ◽  
Mode Analysis ◽  
Energy Profile ◽  
Protein Conformational Change

Large scale motions in a biosensor protein glucose oxidase: A combined approach by QENS, normal mode analysis, and molecular dynamics studies

Biopolymers ◽  
2008 ◽  
Vol 89 (7) ◽  
pp. 582-594 ◽  
Author(s):  
Sujit S. Tatke ◽  
Chun K. Loong ◽  
Nicolas D'Souza ◽  
Richard T. Schoephoerster ◽  
M. Prabhakaran
Keyword(s):  
Molecular Dynamics ◽  
Glucose Oxidase ◽  
Normal Mode ◽  
Large Scale ◽  
Normal Mode Analysis ◽  
Mode Analysis ◽  
Combined Approach

scholarly journals Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis

2015 ◽  
Vol 7 (17) ◽  
pp. 2317-2331 ◽  
Author(s):  
Gautier Moroy ◽  
Olivier Sperandio ◽  
Shakti Rielland ◽  
Saurabh Khemka ◽  
Karen Druart ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Virtual Screening ◽  
Molecular Dynamics Simulations ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Mode Analysis ◽  
Conformational Ensemble ◽  
Dynamics Simulations

NO in Kr and Xe solids: Molecular dynamics and normal mode analysis

2005 ◽  
Vol 730 (1-3) ◽  
pp. 255-261 ◽  
Author(s):  
J.C. Castro Palacio ◽  
L. Velazquez Abad ◽  
G. Rojas-Lorenzo ◽  
J. Rubayo-Soneira
Keyword(s):  
Molecular Dynamics ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Mode Analysis

Normal-mode analysis without the Hessian: A driven molecular-dynamics approach

2003 ◽  
Vol 119 (2) ◽  
pp. 646-650 ◽  
Author(s):  
Joel M. Bowman ◽  
Xiubin Zhang ◽  
Alex Brown
Keyword(s):  
Molecular Dynamics ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Mode Analysis
Sign in / Sign up

Export Citation Format

Share Document