Computational study of the catalytic domain of human neutrophil collagenase. Specific role of the S3 and S'3 subsites in the interaction with a phosphonate inhibitor. - Massimiliano Aschi; Danilo Roccatano; Alfredo Di Nola; Carlo Gallina; Enrico Gavuzzo; Giorgio Pochetti; Michael Pieper; Harald Tschesche; Fernando Mazza (J. Comput. Aided Mol. Des., 2002)

Conformational fluctuations and electronic properties in myoglobin. - Massimiliano Aschi; Costantino Zazza; Riccardo Spezia; Cecilia Bossa; Alfredo Di Nola; Maurizio Paci; Andrea Amadei (J. Comput. Chem., 2004)

Dynamical Aspects of TEM-1 β-Lactamase Probed by Molecular Dynamics. - Danilo Roccatano; Gianluca Sbardella; Massimiliano Aschi; Gianfranco Amicosante; Cecilia Bossa; Alfredo Di Nola; Fernando Mazza (J. Comput. Aided Mol. Des., 2005)

Essential dynamics for the study of microstructures in liquids. - Maira D'Alessando; Andrea Amadei; Mauro Stener; Massimiliano Aschi (J. Comput. Chem., 2015)

A computational approach for modeling electronic circular dichroism of solvated chromophores. - Marta Monti; Mauro Stener; Massimiliano Aschi (J. Comput. Chem., 2022)