Marcel J. de Groot

Publication Activity (10 Years)

Years Active: 1998-2007
Publications (10 Years): 0

Publications

Yuan H. Zhao, Michael H. Abraham, Adam Ibrahim, Paul V. Fish, Susan Cole, Mark L. Lewis, Marcel J. de Groot, Derek P. Reynolds
Predicting Penetration Across the Blood-Brain Barrier from Simple Descriptors and Fragmentation Schemes. J. Chem. Inf. Model. 47 (1) (2007)
Simone Sciabola, Iñaki Morao, Marcel J. de Groot
Pharmacophoric Fingerprint Method (TOPP) for 3D-QSAR Modeling: Application to CYP2D6 Metabolic Stability. J. Chem. Inf. Model. 47 (1) (2007)
Bernd Ehresmann, Marcel J. de Groot, Timothy Clark
Surface-Integral QSPR Models: Local Energy Properties. J. Chem. Inf. Model. 45 (4) (2005)
Bernd Ehresmann, Marcel J. de Groot, Alexander Alex, Timothy Clark
New Molecular Descriptors Based on Local Properties at the Molecular Surface and a Boiling-Point Model Derived from Them. J. Chem. Inf. Model. 44 (2) (2004)
Marcel J. de Groot, Remco W. A. Havenith, H. Maarten Vinkers, Renate Zwaans, Nico P. E. Vermeulen, Joop H. van Lenthe
Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s. J. Comput. Aided Mol. Des. 12 (2) (1998)