In silico study of osmolytic effects of choline-O-sulfate on urea induced unfolding of Trp-cage mini-protein: An atomistic view from replica exchange molecular dynamics simulation

2020 ◽  
Vol 695 ◽  
pp. 108484
Author(s):  
Srijita Paul ◽  
Sandip Paul
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
In Silico ◽  
Dynamics Simulation ◽  
Replica Exchange ◽  
Replica Exchange Molecular Dynamics ◽  
In Silico Study

Replica-exchange molecular dynamics simulation of diffracted X-ray tracking

2007 ◽  
Vol 33 (1-2) ◽  
pp. 97-102 ◽  
Author(s):  
Y. Kawashima ◽  
Y. C. Sasaki ◽  
Y. Sugita ◽  
T. Yoda ◽  
Y. Okamoto
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Replica Exchange ◽  
Replica Exchange Molecular Dynamics ◽  
X Ray
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