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Bioinformatics (Oxford, England)|July 3, 2004
Efficient similarity search in protein structure databases by k-clique hashingNils Weskamp, Daniel Kuhn, Eyke Hüllermeier, et al.Journal of Chemical Information and Modeling|May 3, 2011
MiniMuDS: a new optimizer using knowledge-based potentials improves scoring of docking solutionsAndreas Spitzmüller, Hans F G Velec, Gerhard KlebeJournal of Chemical Information and Modeling|October 8, 2009
Secbase: database module to retrieve secondary structure elements with ligand binding motifsOliver Koch, Jason Cole, Peter Block, et al.Journal of Chemical Information and Computer Sciences|May 28, 2003
A 3D QSAR study on a set of dopamine D4 receptor antagonistsJonas Boström, Markus Böhm, Klaus Gundertofte, et al.Journal of Medicinal Chemistry|September 30, 2005
DrugScore(CSD)-knowledge-based scoring function derived from small molecule crystal data with superior recognition rate of near-native ligand poses and better affinity predictionHans F G Velec, Holger Gohlke, Gerhard KlebeJournal of Medicinal Chemistry|August 14, 2015
Fragment Binding Can Be Either More Enthalpy-Driven or Entropy-Driven: Crystal Structures and Residual Hydration Patterns Suggest WhyEggert Rühmann, Michael Betz, Andreas Heine, et al.IEEE/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 Molecular Biology|February 1, 2003
Relibase: design and development of a database for comprehensive analysis of protein-ligand interactionsManfred Hendlich, Andreas Bergner, Judith Günther, et al.Molecular Informatics|August 2, 2016
Fingerprint Kernels for Protein Structure ComparisonThomas Fober, Marco Mernberger, Gerhard Klebe, et al.IEEE/ACM Transactions on Computational Biology and Bioinformatics|March 2, 2011
Superposition and alignment of labeled point cloudsThomas Fober, Serghei Glinca, Gerhard Klebe, et al.Pageof 25