Guiding protein-ligand docking with different experimental NMR-data. - Tim ten Brink; Ionut Onila; Adam Mazur; Oliver Korb; Heiko M. Möller; Christian Griesinger; Teresa Carlomagno; Thomas E. Exner (J. Cheminformatics, 2012)

Can quantum-chemical NMR chemical shifts be used as criterion for force-field development. - Thomas E. Exner; Andrea Frank; Heiko M. Möller; Martin Dracínský (J. Cheminformatics, 2014)