DDT - Drug Discovery Tool: a fast and intuitive graphics user interface for docking and molecular dynamics analysis. - Simone Aureli; Daniele Di Marino; Stefano Raniolo; Vittorio Limongelli (Bioinform., 2019)

Transferring Chemical and Energetic Knowledge Between Molecular Systems with Machine Learning. - Sajjad Heydari; Stefano Raniolo; Lorenzo Livi; Vittorio Limongelli (CoRR, 2022)

Discovery of Bile Acid Derivatives as Potent ACE2 Activators by Virtual Screening and Essential Dynamics. - Bianca Fiorillo; Silvia Marchianò; Federica Moraca; Valentina Sepe; Adriana Carino; Pasquale Rapacciuolo; Michele Biagioli; Vittorio Limongelli; Angela Zampella; Bruno Catalanotti; Stefano Fiorucci (J. Chem. Inf. Model., 2022)

HEroBM: a deep equivariant graph neural network for universal backmapping from coarse-grained to all-atom representations. - Daniele Angioletti; Stefano Raniolo; Vittorio Limongelli (CoRR, 2024)