Pharmacophoric Fingerprint Method (TOPP) for 3D-QSAR Modeling: Application to CYP2D6 Metabolic Stability. - Simone Sciabola; Iñaki Morao; Marcel J. de Groot (J. Chem. Inf. Model., 2007)

Rapid and accurate assessment of GPCR-ligand interactions Using the fragment molecular orbital-based density-functional tight-binding method. - Iñaki Morao; Dmitri G. Fedorov; Roger Robinson; Michelle Southey; Andrea Townsend-Nicholson; Michael J. Bodkin; Alexander Heifetz (J. Comput. Chem., 2017)