scholarly journals Replica exchange and expanded ensemble simulations as Gibbs sampling: Simple improvements for enhanced mixing

2011 ◽  
Vol 135 (19) ◽  
pp. 194110 ◽  
Author(s):  
John D. Chodera ◽  
Michael R. Shirts
Keyword(s):  
Gibbs Sampling ◽  
Replica Exchange ◽  
Ensemble Simulations ◽  
Expanded Ensemble

scholarly journals A generalized linear response framework for expanded ensemble and replica exchange simulations

2018 ◽  
Vol 149 (7) ◽  
pp. 072315 ◽  
Author(s):  
Brian K. Radak ◽  
Donghyuk Suh ◽  
Benoît Roux
Keyword(s):  
Linear Response ◽  
Replica Exchange ◽  
Expanded Ensemble

Expanded ensemble and replica exchange methods for simulation of protein-like systems

2003 ◽  
Vol 119 (22) ◽  
pp. 11998-12010 ◽  
Author(s):  
Michael K. Fenwick ◽  
Fernando A. Escobedo
Keyword(s):  
Replica Exchange ◽  
Expanded Ensemble
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