Estimation of active conformations of drugs by a new molecular superposing procedure.

Kazuhiko Iwase Shuichi Hirono

Published in: J. Comput. Aided Mol. Des. (1999)

Keyphrases

drug discovery
drug design
protein structure prediction
three dimensional
estimation process
image segmentation
parameter estimation
accurate estimation
protein folding
molecular dynamics
virtual screening
data mining
case study
estimation error
estimation algorithm
molecular structure