Molecular Dynamics Simulations of Water with Novel Shell-Model Potentials

2001 ◽  
Vol 105 (13) ◽  
pp. 2618-2626 ◽  
Author(s):  
Paul J. van Maaren ◽  
David van der Spoel
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Shell Model ◽  
Model Potentials ◽  
Dynamics Simulations

scholarly journals Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model

2020 ◽  
Vol 16 (3) ◽  
pp. 1866-1881 ◽  
Author(s):  
Victor Ovchinnikov ◽  
Simone Conti ◽  
Edmond Y. Lau ◽  
Felice C. Lightstone ◽  
Martin Karplus
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Shell Model ◽  
Solvation Shell ◽  
Quasi Equilibrium ◽  
Dynamics Simulations
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