Shapelets: Possibilities and limitations of shape-based virtual screening
Proschak, Ewgenij, Rupp, Matthias, Derksen, Swetlana, Schneider, Gisbert
Published in Journal of computational chemistry (15.01.2008)
Published in Journal of computational chemistry (15.01.2008)
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Journal Article
A Hierarchical Clustering Approach for Large Compound Libraries
Böcker, Alexander, Derksen, Swetlana, Schmidt, Elena, Teckentrup, Andreas, Schneider, Gisbert
Published in Journal of chemical information and modeling (01.07.2005)
Published in Journal of chemical information and modeling (01.07.2005)
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Journal Article
Maximum Common Binding Modes (MCBM): Consensus Docking Scoring Using Multiple Ligand Information and Interaction Fingerprints
Renner, Steffen, Derksen, Swetlana, Radestock, Sebastian, Mörchen, Fabian
Published in Journal of chemical information and modeling (01.02.2008)
Published in Journal of chemical information and modeling (01.02.2008)
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Journal Article
Virtual Screening for PPAR Modulators Using a Probabilistic Neural Network
Derksen, Swetlana, Rau, Oliver, Schneider, Petra, Schubert-Zsilavecz, Manfred, Schneider, Gisbert
Published in ChemMedChem (01.12.2006)
Published in ChemMedChem (01.12.2006)
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Journal Article