Brute-Force Molecular Dynamics Simulations of Villin Headpiece:  Comparison with NMR Parameters

2003 ◽  
Vol 107 (40) ◽  
pp. 11178-11187 ◽  
Author(s):  
David van der Spoel ◽  
Erik Lindahl
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Brute Force ◽  
Villin Headpiece ◽  
Nmr Parameters ◽  
Dynamics Simulations

Nucleation of pseudo hard-spheres and dumbbells at moderate metastability: appearance of A15 Frank–Kasper phase at intermediate elongations

2019 ◽  
Vol 21 (4) ◽  
pp. 1656-1670 ◽  
Author(s):  
Itziar Zubieta ◽  
Miguel Vázquez del Saz ◽  
Pablo Llombart ◽  
Carlos Vega ◽  
Eva G. Noya
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Hard Spheres ◽  
Crystal Nucleation ◽  
Brute Force ◽  
Dynamics Simulations

Crystal nucleation of repulsive hard-dumbbells from the sphere to the two tangent spheres limit is investigated at moderately high metastability by brute-force molecular dynamics simulations.

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