Results 141 to 150 of about 176,064 (165)

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

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

Molecular dynamics simulation

This is a course document for introducing molecular dynamics originally developed as part of the Master in Bioinformatics curriculum at the Higher Institute of Biotechnology of Sidi Thabet, under the auspices of the University of Manouba, Tunisia, but could serve any person interested in structural bioinformatics and molecular modeling.
openaire   +1 more source

Constant pressure molecular dynamics simulation: The Langevin piston method

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

A comparison of the structure and dynamics of liquid water at hydrophobic and hydrophilic surfaces—a molecular dynamics simulation study

Journal of Chemical Physics, 1994
Peter Rossky, Rossky Peter J, Lee Song Hi   +2 more
exaly  

Molecular dynamics simulation of a polymer chain in solution

Journal of Chemical Physics, 1993
Kurt Kremer, Kremer Kurt, Dünweg Burkhard   +2 more
exaly  

Molecular association between water and dimethyl sulfoxide in solution: A molecular dynamics simulation study

Journal of Chemical Physics, 1999
Munir S Skaf, Ivana Borin, Skaf Munir S
exaly  

Molecular dynamics simulation study of nonconcatenated ring polymers in a melt. II. Dynamics

Journal of Chemical Physics, 2011
Won Bo Lee, Alexander Y Grosberg, Gary Grest   +2 more
exaly  

Prediction of methane diffusion coefficient in water using molecular dynamics simulation

Heliyon, 2020
Hedayat Azizpour, , Mohammadi Mohammadi   +2 more
exaly  

Molecular Dynamics Simulation

2017
openaire   +1 more source

Molecular‐dynamics simulation for a model nonadiabatic proton transfer reaction in solution

Journal of Chemical Physics, 1991
James Hynes, Daniel Borgis, Hynes James T   +2 more
exaly