Molecular Dynamics Simulations on Solvated Biomolecular Systems: The Particle Mesh Ewald Method Leads to Stable Trajectories of DNA, RNA, and Proteins

1995 ◽  
Vol 117 (14) ◽  
pp. 4193-4194 ◽  
Author(s):  
T. E. III Cheatham ◽  
J. L. Miller ◽  
T. Fox ◽  
T. A. Darden ◽  
P. A. Kollman
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Biomolecular Systems ◽  
Particle Mesh Ewald ◽  
Ewald Method ◽  
Dynamics Simulations

scholarly journals Multiple active zones in hybrid QM/MM molecular dynamics simulations for large biomolecular systems

2015 ◽  
Vol 17 (15) ◽  
pp. 9959-9972 ◽  
Author(s):  
Juan Torras
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Biomolecular Systems ◽  
Active Zones ◽  
Dynamics Simulations

A new QM/MM molecular dynamics approach that can deal with the dynamics of large real systems involving several simultaneous active zones is presented.

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

2013 ◽  
Vol 9 (9) ◽  
pp. 3878-3888 ◽  
Author(s):  
Romelia Salomon-Ferrer ◽  
Andreas W. Götz ◽  
Duncan Poole ◽  
Scott Le Grand ◽  
Ross C. Walker
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Particle Mesh Ewald ◽  
Explicit Solvent ◽  
Dynamics Simulations
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