The UA?CG Workflow: High Performance Molecular Dynamics of Coarse-Grained Polymers.

David Ozog Allen D. Malony Marina Guenza

Published in: PDP (2016)

Keyphrases

coarse grained
molecular dynamics
protein folding
fine grained
molecular dynamics simulations
protein sequences
high performance computing
shared memory
scientific data
massively parallel
access control
high level
data mining
fluid flow
hiv protease