Results 251 to 260 of about 788,359 (268)

Scalable molecular dynamics on CPU and GPU architectures with NAMD

Journal of Chemical Physics, 2020
Marcelo Cardoso Dos Reis Melo, Klaus Schulten, John E Stone   +2 more
exaly  

Molecular Dynamics:  Survey of Methods for Simulating the Activity of Proteins

Chemical Reviews, 2006
J Andrew McCammon
exaly  

Molecular dynamics with coupling to an external bath

Journal of Chemical Physics, 1984
Van Gunsteren W F, Berendsen H J C
exaly  

Dynamics of entangled linear polymer melts:  A molecular‐dynamics simulation

Journal of Chemical Physics, 1990
Gary Grest, Kurt Kremer, Kremer Kurt
exaly  

Constant pressure molecular dynamics simulation: The Langevin piston method

Journal of Chemical Physics, 1995
Richard Pastor, Bernard Brooks, Brooks Bernard R   +2 more
exaly  

Scalable molecular dynamics with NAMD

Journal of Computational Chemistry, 2005
Klaus Schulten, Emad Tajkhorshid, Rosemary Braun   +2 more
exaly  

Brownian Dynamics, Molecular Dynamics, and Monte Carlo modeling of colloidal systems

Advances in Colloid and Interface Science, 2004
Albert Kim
exaly  

A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity

Journal of Chemical Physics, 1997
Florian Müller-Plathe, Müller-Plathe Florian   +1 more
exaly  

Molecular mechanics and molecular dynamics simulations of porphyrins, metalloporphyrins, heme proteins and cobalt corrinoids

Coordination Chemistry Reviews, 2002
Helder Marques, Kenneth L Brown
exaly  

Calculating potentials of mean force from steered molecular dynamics simulations

Journal of Chemical Physics, 2004
Schulten Klaus, Park Sanghyun
exaly