TransCent: Computational enzyme design by transferring active sites and considering constraints relevant for catalysis. - André Fischer; Nils Enkler; Gerd Neudert; Marco Bocola; Reinhard Sterner; Rainer Merkl (BMC Bioinform., 2009)

fconv: format conversion, manipulation and feature computation of molecular data. - Gerd Neudert; Gerhard Klebe (Bioinform., 2011)

DSX: A Knowledge-Based Scoring Function for the Assessment of Protein-Ligand Complexes. - Gerd Neudert; Gerhard Klebe (J. Chem. Inf. Model., 2011)