Marcel J. de Groot
UCB Pharma (Belgium)(BE)
Publications by Year
Research Areas
Pharmacogenetics and Drug Metabolism, Computational Drug Discovery Methods, Drug Transport and Resistance Mechanisms, Analytical Chemistry and Chromatography, Ion channel regulation and function
Most-Cited Works
- → A Quantum Chemical Explanation of the Antioxidant Activity of Flavonoids(1996)403 cited
- Pharmacophore and three-dimensional quantitative structure activity relationship methods for modeling cytochrome p450 active sites.(2001)
- → Novel Approach To Predicting P450-Mediated Drug Metabolism: Development of a Combined Protein and Pharmacophore Model for CYP2D6(1999)160 cited
- → Structural Determinants of HERG Channel Block by Clofilium and Ibutilide(2004)157 cited
- → Quantum Mechanics/Molecular Mechanics Modeling of Regioselectivity of Drug Metabolism in Cytochrome P450 2C9(2013)150 cited
- → Predicting Penetration Across the Blood-Brain Barrier from Simple Descriptors and Fragmentation Schemes(2006)140 cited
- → A Novel Approach to Predicting P450 Mediated Drug Metabolism. CYP2D6 Catalyzed N-Dealkylation Reactions and Qualitative Metabolite Predictions Using a Combined Protein and Pharmacophore Model for CYP2D6(1999)128 cited
- → Designing better drugs: predicting cytochrome P450 metabolism(2006)121 cited
- → Subtype‐selective targeting of voltage‐gated sodium channels(2009)116 cited
- → Greater Than the Sum of Its Parts: Combining Models for Useful ADMET Prediction(2005)116 cited