Free energy for protein folding from nonequilibrium simulations using the Jarzynski equality

2006 ◽  
Vol 125 (20) ◽  
pp. 204910 ◽  
Author(s):  
Daniel K. West ◽  
Peter D. Olmsted ◽  
Emanuele Paci
Keyword(s):  
Free Energy ◽  
Protein Folding ◽  
Jarzynski Equality

scholarly journals Advances in free-energy-based simulations of protein folding and ligand binding

2016 ◽  
Vol 36 ◽  
pp. 25-31 ◽  
Author(s):  
Alberto Perez ◽  
Joseph A Morrone ◽  
Carlos Simmerling ◽  
Ken A Dill
Keyword(s):  
Free Energy ◽  
Protein Folding ◽  
Ligand Binding
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