Free energy calculations in globular proteins: Methods to reduce errors. - Alfredo Di Nola; Axel T. Brünger (J. Comput. Chem., 1998)

Development of a parallel molecular dynamics code on SIMD computers: Algorithm for use of pair list criterion. - Danilo Roccatano; R. Bizzarri; G. Chillemi; Nico Sanna; Alfredo Di Nola (J. Comput. Chem., 1998)

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)