DFT-based molecular dynamics as a new tool for computational biology: First applications and perspective. - Wanda Andreoni; Alessandro Curioni; Tiziana Mordasini (IBM J. Res. Dev., 2001)

Enhancing the accuracy of virtual screening: molecular dynamics with quantum-refined force fields. - Alessandro Curioni; Tiziana Mordasini; Wanda Andreoni (J. Comput. Aided Mol. Des., 2004)

New Scoring Functions for Virtual Screening from Molecular Dynamics Simulations with a Quantum-Refined Force-Field (QRFF-MD). Application to Cyclin-Dependent Kinase 2. - Philippe Ferrara; Alessandro Curioni; Eric Vangrevelinghe; T. Meyer; Tiziana Mordasini; Wanda Andreoni; Pierre Acklin; Edgar Jacoby (J. Chem. Inf. Model., 2006)