Consistent valence force-field parameterization of bond lengths and angles with quantum chemical ab initio methods applied to some heterocyclic dopamine D3-receptor agonists. - Katrin Gaedt; Hans-Dieter Höltje (J. Comput. Chem., 1998)

3D-QSAR methods on the basis of ligand-receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands. - Juan José Lozano; Manuel Pastor; Gabriele Cruciani; Katrin Gaedt; Nuria B. Centeno; Federico Gago; Ferran Sanz (J. Comput. Aided Mol. Des., 2000)