Semi-rigid analogues of the calcium antagonist verapamil: A molecular modelling study. - Maria Novella Romanelli; Silvia Dei; Serena Scapecchi; Elisabetta Teodori; Fulvio Gualtieri; Roberta Budriesi; Raimund Mannhold (J. Comput. Aided Mol. Des., 1994)

Substructure and whole molecule approaches for calculating log P. - Raimund Mannhold; Han van de Waterbeemd (J. Comput. Aided Mol. Des., 2001)

Ligand-, structure- and pharmacophore-based molecular fingerprints: a case study on adenosine A1, A2A, A2B, and A3 receptor antagonists. - Francesco Sirci; Laura Goracci; David Rodríguez 003; Jacqueline van Muijlwijk-Koezen; Hugo Gutiérrez-de-Terán; Raimund Mannhold (J. Comput. Aided Mol. Des., 2012)

Virtual Fragment Screening: Discovery of Histamine H3 Receptor Ligands Using Ligand-Based and Protein-Based Molecular Fingerprints. - Francesco Sirci; Enade P. Istyastono; Henry F. Vischer; Albert J. Kooistra; Saskia Nijmeijer; Martien Kuijer; Maikel Wijtmans; Raimund Mannhold; Rob Leurs; Iwan J. P. de Esch; Chris de Graaf (J. Chem. Inf. Model., 2012)