Large-Scale Biomolecular Conformational Transitions Explored by a Combined Elastic Network Model and Enhanced Sampling Molecular Dynamics

2019 ◽  
Vol 11 (1) ◽  
pp. 325-332 ◽  
Author(s):  
Anhui Wang ◽  
Dinglin Zhang ◽  
Yan Li ◽  
Zhichao Zhang ◽  
Guohui Li
Keyword(s):  
Molecular Dynamics ◽  
Network Model ◽  
Large Scale ◽  
Conformational Transitions ◽  
Elastic Network Model ◽  
Enhanced Sampling ◽  
Elastic Network

Loop dynamics behind the affinity of DARPins towards ERK2: Molecular dynamics simulations (MDs) and elastic network model (ENM)

2019 ◽  
Vol 274 ◽  
pp. 612-620
Author(s):  
Vertika Gautam ◽  
Wei Lim Chong ◽  
Sek Peng Chin ◽  
Sharifuddin Md Zain ◽  
Noorsaadah Abdul Rahman ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Network Model ◽  
Elastic Network Model ◽  
Elastic Network ◽  
Loop Dynamics ◽  
Dynamics Simulations
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