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Molecular Informatics|August 5, 2016
Acceleration of Binding Site Comparisons by Graph PartitioningTimo Krotzky, Gerhard KlebeIEEE/ACM Transactions on Computational Biology and Bioinformatics|September 11, 2015
Extended Graph-Based Models for Enhanced Similarity Search in CavbaseTimo Krotzky, Thomas Fober, Eyke Hüllermeier, et al.Journal of Chemical Information and Modeling|October 28, 2014
Extraction of protein binding pockets in close neighborhood of bound ligands makes comparisons simple due to inherent shape similarityTimo Krotzky, Thomas Rickmeyer, Thomas Fober, et al.Journal of Chemical Information and Modeling|December 5, 2014
Large-scale mining for similar protein binding pockets: with RAPMAD retrieval on the fly becomes realTimo Krotzky, Christian Grunwald, Ute Egerland, et al.Chemmedchem|August 12, 2015
One Question, Multiple Answers: Biochemical and Biophysical Screening Methods Retrieve Deviating Fragment Hit ListsJohannes Schiebel, Nedyalka Radeva, Helene Köster, et al.Pageof 1