Fragment Based Molecular Dynamics for Drug Design.

Lucia Sessa Luigi Di Biasi Simona Concilio Stefano Piotto

Published in: WIVACE (2017)

Keyphrases

molecular dynamics
drug design
protein structure prediction
protein folding
scientific data
high performance computing
drug discovery
quantitative structure activity
protein protein interactions
molecular dynamics simulations
fluid flow
database
data sets
databases
load balancing
protein sequences