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Fast Protein Binding Site Comparison via an Index-Based Screening Technology.

, , , , , and . Journal of Chemical Information and Modeling, 53 (2): 411-422 (2013)

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Unique Ring Families: A Chemically Meaningful Description of Molecular Ring Topologies., , and . Journal of Chemical Information and Modeling, 52 (8): 2013-2021 (2012)A consistent cheminformatics framework for automated virtual screening.. University of Hamburg, (2015)NAOMI: On the Almost Trivial Task of Reading Molecules from Different File formats., , , , , , , and . Journal of Chemical Information and Modeling, 51 (12): 3199-3207 (2011)Ein konsistentes Framework für automatisiertes virtuelles Screening.. Ausgezeichnete Informatikdissertationen, volume D-16 of LNI, GI, (2015)MONA - Interactive manipulation of molecule collections., , , , and . J. Cheminformatics, (2013)Fast Protein Binding Site Comparison via an Index-Based Screening Technology., , , , , and . Journal of Chemical Information and Modeling, 53 (2): 411-422 (2013)Let's talk about rings., , and . J. Cheminformatics, 5 (S-1): 8 (2013)Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening., , , , , and . Journal of Chemical Information and Modeling, 54 (6): 1676-1686 (2014)Reading PDB: Perception of Molecules from 3D Atomic Coordinates., , , , and . Journal of Chemical Information and Modeling, 53 (1): 76-87 (2013)Protoss: a holistic approach to predict tautomers and protonation states in protein-ligand complexes., , , and . J. Cheminformatics, 6 (1): 12 (2014)