Force-field coefficient optimization of coarse-grained molecular dynamics models with a small computational budget

2020 ◽  
Vol 176 ◽  
pp. 109518
Author(s):  
M. Razi ◽  
A. Narayan ◽  
R.M. Kirby ◽  
D. Bedrov
Keyword(s):  
Molecular Dynamics ◽  
Force Field ◽  
Coarse Grained ◽  
Coefficient Optimization ◽  
Field Coefficient ◽  
Computational Budget ◽  
Dynamics Models ◽  
Coarse Grained Molecular Dynamics

scholarly journals Investigation of Protein Folding by Coarse-Grained Molecular Dynamics with the UNRES Force Field

2010 ◽  
Vol 114 (13) ◽  
pp. 4471-4485 ◽  
Author(s):  
Gia G. Maisuradze ◽  
Patrick Senet ◽  
Cezary Czaplewski ◽  
Adam Liwo ◽  
Harold A. Scheraga
Keyword(s):  
Molecular Dynamics ◽  
Protein Folding ◽  
Force Field ◽  
Coarse Grained ◽  
Coarse Grained Molecular Dynamics
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