Results 241 to 250 of about 7,932,784 (254)

Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States

Chemical Reviews, 2015
Elizabeth Brunk, Ursula Röthlisberger
exaly  

Molecular dynamics simulations and novel drug discovery

Expert Opinion on Drug Discovery, 2018
Shuangyan Zhou, Xiao-Jun Yao, Huanxiang Liu   +2 more
exaly  

Generalized Verlet Algorithm for Efficient Molecular Dynamics Simulations with Long-range Interactions

Molecular Simulation, 1991

exaly  

Molecular dynamics simulations

Current Opinion in Structural Biology, 2002
Chris Oostenbrink
exaly  

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

Journal of Chemical Physics, 2011
Won Bo Lee, Alexander Grosberg, Gary S. Grest   +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 J. Rossky, Song Hi Lee
exaly  

Molecular dynamics simulation study of nonconcatenated ring polymers in a melt. I. Statics

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

Calculating potentials of mean force from steered molecular dynamics simulations

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

Molecular dynamics simulation of a polymer chain in solution

Journal of Chemical Physics, 1993
Burkhard Dünweg, Kurt Kremer
exaly  

Many‐body effects in molecular dynamics simulations of Na+(H2O)n and Cl−(H2O)n clusters

Journal of Chemical Physics, 1991
Max Berkowitz, Lalith Perera
exaly