Free energy surfaces of β-hairpin and α-helical peptides generated by replica exchange molecular dynamics with the AGBNP implicit solvent model

2004 ◽  
Vol 56 (2) ◽  
pp. 310-321 ◽  
Author(s):  
Anthony K. Felts ◽  
Yuichi Harano ◽  
Emilio Gallicchio ◽  
Ronald M. Levy
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Replica Exchange ◽  
Implicit Solvent ◽  
Helical Peptides ◽  
Replica Exchange Molecular Dynamics ◽  
Implicit Solvent Model ◽  
Solvent Model ◽  
Energy Surfaces

Replica Exchange Molecular Dynamics Simulations of Coarse-grained Proteins in Implicit Solvent

2009 ◽  
Vol 113 (1) ◽  
pp. 267-274 ◽  
Author(s):  
Yassmine Chebaro ◽  
Xiao Dong ◽  
Rozita Laghaei ◽  
Philippe Derreumaux ◽  
Normand Mousseau
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Coarse Grained ◽  
Replica Exchange ◽  
Implicit Solvent ◽  
Replica Exchange Molecular Dynamics ◽  
Dynamics Simulations

scholarly journals A Novel Implicit Solvent Model for Simulating the Molecular Dynamics of RNA

2013 ◽  
Vol 105 (5) ◽  
pp. 1248-1257 ◽  
Author(s):  
Yufeng Liu ◽  
Esmael Haddadian ◽  
Tobin R. Sosnick ◽  
Karl F. Freed ◽  
Haipeng Gong
Keyword(s):  
Molecular Dynamics ◽  
Implicit Solvent ◽  
Implicit Solvent Model ◽  
Solvent Model
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