Alignment of flexible molecules at their receptor site using 3D descriptors and Hi-PCA. - Anders Berglund; Maria Cristina De Rosa; Svante Wold (J. Comput. Aided Mol. Des., 1997)

Identification and Modeling of a GT-A Fold in the α-Dystroglycan Glycosylating Enzyme LARGE1. - Benedetta Righino; Manuela Bozzi; Davide Pirolli; Francesca Sciandra; Maria Giulia Bigotti; Andrea Brancaccio; Maria Cristina De Rosa (J. Chem. Inf. Model., 2020)

ILVES: Accurate and efficient bond length and angle constraints in molecular dynamics. - Lorién López-Villellas; Carl Christian Kjelgaard Mikkelsen; Juan José Galano-Frutos; Santiago Marco-Sola; Jesús Alastruey-Benedé; Pablo Ibáñez 001; Miquel Moretó; Maria Cristina De Rosa; Pablo García-Risueño (CoRR, 2025)