A new method for rapid comparison of protein binding pockets by capturing spatial distributions.

Timo Krotzky Gerhard Klebe

Published in: J. Cheminformatics (2014)

Keyphrases

high precision
similarity measure
cost function
dynamic programming
detection method
pairwise
neural network
probabilistic model
preprocessing
computational complexity
objective function
probability distribution
high accuracy
clustering method
genetic algorithm
data sets
covariance matrix