Luigi Capoferri
Vrije Universiteit Amsterdam(NL)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Pharmacogenetics and Drug Metabolism, Protein Structure and Dynamics, Cannabis and Cannabinoid Research, Analytical Chemistry and Chromatography
Most-Cited Works
- → A Catalytic Mechanism for Cysteine N-Terminal Nucleophile Hydrolases, as Revealed by Free Energy Simulations(2012)76 cited
- → Quantum Mechanics/Molecular Mechanics Modeling of Covalent Addition between EGFR–Cysteine 797 andN-(4-Anilinoquinazolin-6-yl) Acrylamide(2015)55 cited
- → Application of engineered cytochrome P450 mutants as biocatalysts for the synthesis of benzylic and aromatic metabolites of fenamic acid NSAIDs(2014)40 cited
- → Quantum Mechanics/Molecular Mechanics Modeling of Fatty Acid Amide Hydrolase Reactivation Distinguishes Substrate from Irreversible Covalent Inhibitors(2013)36 cited
- → Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations(2016)32 cited
- → Comprehensive and Automated Linear Interaction Energy Based Binding-Affinity Prediction for Multifarious Cytochrome P450 Aromatase Inhibitors(2017)25 cited
- → Understanding the role of carbamate reactivity in fatty acid amide hydrolase inhibition by QM/MM mechanistic modelling(2011)24 cited
- → Linear Interaction Energy Based Prediction of Cytochrome P450 1A2 Binding Affinities with Reliability Estimation(2015)24 cited
- → Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project(2015)21 cited
- → Application of a SCC-DFTB QM/MM approach to the investigation of the catalytic mechanism of fatty acid amide hydrolase(2011)20 cited