scholarly journals Molecular Dynamics of Apo-Adenylate Kinase:  A Distance Replica Exchange Method for the Free Energy of Conformational Fluctuations

2006 ◽  
Vol 110 (47) ◽  
pp. 24121-24137 ◽  
Author(s):  
Hongfeng Lou ◽  
Robert I. Cukier
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Adenylate Kinase ◽  
Replica Exchange ◽  
Exchange Method ◽  
Replica Exchange Method ◽  
Kinase A

scholarly journals Multidimensional replica-exchange method for free-energy calculations

2000 ◽  
Vol 113 (15) ◽  
pp. 6042-6051 ◽  
Author(s):  
Yuji Sugita ◽  
Akio Kitao ◽  
Yuko Okamoto
Keyword(s):  
Free Energy ◽  
Free Energy Calculations ◽  
Replica Exchange ◽  
Exchange Method ◽  
Energy Calculations ◽  
Replica Exchange Method

Replica exchange reactive molecular dynamics simulations of initial reactions in zeolite synthesis

2015 ◽  
Vol 17 (38) ◽  
pp. 25421-25428 ◽  
Author(s):  
Zhifeng Jing ◽  
Liang Xin ◽  
Huai Sun
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Replica Exchange ◽  
Zeolite Synthesis ◽  
Exchange Method ◽  
Reactive Molecular Dynamics ◽  
Dynamics Simulations ◽  
Replica Exchange Method

Silicate oligomerization reactions at realistic temperature were probed by direct simulations using the replica exchange method.

scholarly journals Hamiltonian and Distance Replica Exchange Method Studies of Met-Enkephalin

2007 ◽  
Vol 111 (42) ◽  
pp. 12310-12321 ◽  
Author(s):  
Li Su ◽  
Robert I. Cukier
Keyword(s):  
Replica Exchange ◽  
Exchange Method ◽  
Replica Exchange Method
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