Extracting ligands from receptors by reversed targeted molecular dynamics

2015 ◽  
Vol 29 (11) ◽  
pp. 1025-1034 ◽  
Author(s):  
Romain M. Wolf
Keyword(s):  
Molecular Dynamics ◽  
Targeted Molecular Dynamics

scholarly journals Estimation of Protein–Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations

2019 ◽  
Vol 59 (12) ◽  
pp. 5135-5147 ◽  
Author(s):  
Steffen Wolf ◽  
Marta Amaral ◽  
Maryse Lowinski ◽  
Francois Vallée ◽  
Djordje Musil ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Targeted Molecular Dynamics ◽  
Dynamics Simulations ◽  
Non Equilibrium

Zip gating of the KcsA channel studied by targeted molecular dynamics

2005 ◽  
Vol 407 (1-3) ◽  
pp. 199-204 ◽  
Author(s):  
Mylène Compoint ◽  
Fabien Picaud ◽  
Christophe Ramseyer ◽  
Claude Girardet
Keyword(s):  
Molecular Dynamics ◽  
Targeted Molecular Dynamics

Targeted Molecular Dynamics Simulations of Protein Unfolding

2000 ◽  
Vol 104 (18) ◽  
pp. 4511-4518 ◽  
Author(s):  
Philippe Ferrara ◽  
Joannis Apostolakis ◽  
Amedeo Caflisch
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Protein Unfolding ◽  
Targeted Molecular Dynamics ◽  
Dynamics Simulations
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