D Roccatano

Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation

A. di Nola, D. Roccatano, M Mangoni, 1999, Proteins.

Molecular dynamics simulation of the docking of substrates to proteins

H J Berendsen, H. Berendsen, A. di Nola, 1994, Proteins.

Investigation of the mechanism of domain closure in citrate synthase by molecular dynamics simulation.

S. Hayward, A. Mark, D. Roccatano, 2001, Journal of molecular biology.