A comparison of conformational energies calculated by several molecular mechanics methods. - Klaus Gundertofte; Tommy Liljefors; Per-Ola Norrby; Ingrid Pettersson (J. Comput. Chem., 1996)

A pharmacophore model for dopamine D4 receptor antagonists. - Jonas Boström; Klaus Gundertofte; Tommy Liljefors (J. Comput. Aided Mol. Des., 2000)

A pharmacophore model for NK2 antagonist comprising compounds from several structurally diverse classes. - Anders Poulsen 001; Tommy Liljefors; Klaus Gundertofte; Berith Bjørnholm (J. Comput. Aided Mol. Des., 2002)

Pharmacophore and receptor models for neurokinin receptors. - Anders Poulsen 001; Berith Bjørnholm; Klaus Gundertofte; Irina D. Pogozheva; Tommy Liljefors (J. Comput. Aided Mol. Des., 2003)

A 3D QSAR Study on a Set of Dopamine D4 Receptor Antagonists. - Jonas Boström; Markus Böhm; Klaus Gundertofte; Gerhard Klebe (J. Chem. Inf. Comput. Sci., 2003)