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Extraction of Protein Binding Pockets in Close Neighborhood of Bound Ligands Makes Comparisons Simple Due to Inherent Shape Similarity.
Timo Krotzky
Thomas Rickmeyer
Thomas Fober
Gerhard Klebe
Published in:
J. Chem. Inf. Model. (2014)
Keyphrases
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shape similarity
drug design
shape descriptors
shape matching
protein sequences
pairwise
feature vectors
user interaction
computationally efficient
matching scheme