Asynchronous replica exchange for molecular simulations.

Emilio Gallicchio Ronald M. Levy Manish Parashar

Published in: J. Comput. Chem. (2008)

Keyphrases

molecular dynamics
load balancing
molecular dynamics simulations
peer to peer
information exchange
three dimensional
numerical simulations
asynchronous communication
drug discovery
simulation models
dna computing
discussion forums
real time
state machines
simulation study
molecular structure
case study