ParaDockS - an open source framework for molecular docking.

Martin Pippel Michael Scharfe René Meier Wolfgang Sippl

Published in: J. Cheminformatics (2012)

Keyphrases

hiv protease
three dimensional
van der waals
molecular structure
dna computing
fine grained
coarse grained
image processing
interaction networks
molecular dynamics
drug design
molecular level
chemical reactions
database
protein protein interactions
relational databases
learning algorithm