Multi-Scale Simulations Provide Supporting Evidence for the Hypothesis of Intramolecular Protein Translocation in GroEL/GroES Complexes. - Ivan Coluzza; Alfonso De Simone; Franca Fraternali; Daan Frenkel (PLoS Comput. Biol., 2008)

MetalHawk: Enhanced Classification of Metal Coordination Geometries by Artificial Neural Networks. - Gianmattia Sgueglia; Michail D. Vrettas; Marco Chino; Alfonso De Simone; Angela Lombardi (J. Chem. Inf. Model., 2024)