Vascular endothelial growth factor receptor-2 (VEGFR-2) inhibitors: development and validation of predictive 3-D QSAR models through extensive ligand- and structure-based approaches. - Rino Ragno; Flavio Ballante; Adele Pirolli; Richard B. Wickersham III; Alexandros Patsilinakos; Stéphanie Hesse; Enrico Perspicace; Gilbert Kirsch (J. Comput. Aided Mol. Des., 2015)

Understanding the Molecular Determinant of Reversible Human Monoamine Oxidase B Inhibitors Containing 2H-Chromen-2-One Core: Structure-Based and Ligand-Based Derived Three-Dimensional Quantitative Structure-Activity Relationships Predictive Models. - Milan Mladenovic; Alexandros Patsilinakos; Adele Pirolli; Manuela Sabatino; Rino Ragno (J. Chem. Inf. Model., 2017)

Disruptor of telomeric silencing 1-like (DOT1L): disclosing a new class of non-nucleoside inhibitors by means of ligand-based and structure-based approaches. - Manuela Sabatino; Dante Rotili; Alexandros Patsilinakos; Mariantonietta Forgione; Daniela Tomaselli; Fréderic Alby; Paola B. Arimondo; Antonello Mai; Rino Ragno (J. Comput. Aided Mol. Des., 2018)

Machine learning applications to essential oils and natural extracts. - Alexandros Patsilinakos (2020)

Pliability in the m6A-Binding Region Extends Druggability of YTH Domains. - Giulia Cazzanelli; Andrea Dalle Vedove; Giovanni Spagnolli; Luca Terruzzi; Enrica Colasurdo; Alberto Boldrini; Alexandros Patsilinakos; Mattia Sturlese; Alessandro Grottesi; Emiliano Biasini; Alessandro Provenzani; Alessandro Quattrone; et al. (J. Chem. Inf. Model., 2024)