Molecular Simulation-Based Structural Prediction of Protein Complexes in Mass Spectrometry: The Human Insulin Dimer. - Jinyu Li 005; Giulia Rossetti; Jens Dreyer; Simone Raugei; Emiliano Ippoliti; Bernhard Lüscher; Paolo Carloni (PLoS Comput. Biol., 2014)

Post-Translational Regulation of CYP450s Metabolism As Revealed by All-Atoms Simulations of the Aromatase Enzyme. - Ida Ritacco; Angelo Spinello; Emiliano Ippoliti; Alessandra Magistrato (J. Chem. Inf. Model., 2019)

Molecular Dynamics and Structural Studies of Zinc Chloroquine Complexes. - Mirko Paulikat; Daniele Vitone; Florian Karl Schackert; Nils Schuth; Alessandra Barbanente; GiovanniMaria Piccini; Emiliano Ippoliti; Giulia Rossetti; Adam H. Clark; Maarten Nachtegaal; Michael Haumann; Holger Dau; et al. (J. Chem. Inf. Model., 2023)

MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations. - Bharath Raghavan; Florian K. Schackert; Andrea Levy; Sophia K. Johnson; Emiliano Ippoliti; Davide Mandelli; Jógvan Magnus Haugaard Olsen; Ursula Rothlisberger; Paolo Carloni (J. Chem. Inf. Model., 2023)

Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations. - Bharath Raghavan; Mirko Paulikat; Katya Ahmad; Lara Callea; Andrea Rizzi; Emiliano Ippoliti; Davide Mandelli; Laura Bonati; Marco de Vivo; Paolo Carloni (J. Chem. Inf. Model., 2023)

Physical Chemistry of Chloroquine Permeation through the Cell Membrane with Atomistic Detail. - Mirko Paulikat; GiovanniMaria Piccini; Emiliano Ippoliti; Giulia Rossetti; Fabio Arnesano; Paolo Carloni (J. Chem. Inf. Model., 2023)

Deduction and Ampliativity: A Critical Appraisal. - Emiliano Ippoliti (Perspectives on Deduction, 2024)