Docking and virtual screening of novel inhibitors for mono-ADP-ribosylating toxins. - Michael Scharfe; Benjamin Maurer; Klaus Aktories; Manfred Jung; Wolfgang Sippl (J. Cheminformatics, 2011)

Ligand-based and structure-based design of novel histone demethylase inhibitors. - Luca Carlino; Martin Schmitt; Manfred Jung; Wolfgang Sippl (J. Cheminformatics, 2013)

Discovery of Inhibitors of Schistosoma mansoni HDAC8 by Combining Homology Modeling, Virtual Screening, and in Vitro Validation. - Srinivasaraghavan Kannan; Jelena Melesina; Alexander-Thomas Hauser; Alokta Chakrabarti; Tino Heimburg; Karin Schmidtkunz; Alexandra Walter; Martin Marek; Raymond J. Pierce; Christophe Romier; Manfred Jung; Wolfgang Sippl (J. Chem. Inf. Model., 2014)

Virtual Screening of PRK1 Inhibitors: Ensemble Docking, Rescoring Using Binding Free Energy Calculation and QSAR Model Development. - Inna Slynko; Michael Scharfe; Tobias Rumpf; Julia Eib; Eric Metzger; Roland Schüle; Manfred Jung; Wolfgang Sippl (J. Chem. Inf. Model., 2014)