Incorporating QSPR in the enumeration of fragment space by Rarey M, Pärn J

From screening to searching: an index-driven approach to structure-based lead identification by Rarey M, Schlosser J

Hydrogen placement in protein-ligand complexes under consideration of tautomerism by Bietz S, Urbaczek S, Rarey M

Searching substructures in fragment spaces by Ehrlich H-C, Rarey M

HYDEing the false positives – scoring for lead optimization by Schneider N, Lange G, Klein R, Lemmen C, Rarey M