-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach.

Antoine Daina Olivier Michielin Vincent Zoete

Published in: J. Chem. Inf. Model. (2014)

Keyphrases

drug design
simulated annealing
protein structure prediction
protein protein interactions
drug discovery
quantitative structure activity
essential proteins
data mining
data sets
wireless sensor networks
feature selection
database systems
high speed
access control