Quantum Mechanics/Molecular Mechanics Modeling of Covalent Addition between EGFR-Cysteine 797 and N-(4-Anilinoquinazolin-6-yl) Acrylamide. - Luigi Capoferri; Alessio Lodola; Silvia Rivara; Marco Mor (J. Chem. Inf. Model., 2015)

eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations. - Luigi Capoferri; Marc van Dijk; Ariën S. Rustenburg; Tsjerk A. Wassenaar; Derk P. Kooi; Eko Aditya Rifai; Nico P. E. Vermeulen; Daan P. Geerke (J. Cheminformatics, 2017)

Comprehensive and Automated Linear Interaction Energy Based Binding-Affinity Prediction for Multifarious Cytochrome P450 Aromatase Inhibitors. - Marc van Dijk; Antonius ter Laak; Jörg D. Wichard; Luigi Capoferri; Nico P. E. Vermeulen; Daan P. Geerke (J. Chem. Inf. Model., 2017)