QM/MM molecular dynamics simulation of a peptide in an aqueous environment.

Ryota Jono Yuusuke Watanabe Kentaro Shimizu Tohru Terada

Published in: J. Comput. Chem. (2010)

Keyphrases

molecular dynamics
molecular dynamics simulations
high performance computing
numerical simulations
scientific data
protein folding
fluid flow
sensor networks
data warehouse
computing environments