Attilio V Vargiu

Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and Shape

Andrea Basciu, Giuliano Malloci, Fabio Pietrucci, 2019, J. Chem. Inf. Model..

Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: performance in pose prediction in the D3R Grand Challenge 4

Andrea Basciu, Giuliano Malloci, Alexandre M J J Bonvin, 2019, Journal of Computer-Aided Molecular Design.

Sliding of alkylating anticancer drugs along the minor groove of DNA: new insights on sequence selectivity.

Alessandra Magistrato, Attilio V Vargiu, Paolo Carloni, 2008, Biophysical journal.

Multidrug binding properties of the AcrB efflux pump characterized by molecular dynamics simulations

Attilio V Vargiu, Hiroshi Nikaido, H. Nikaido, 2012, Proceedings of the National Academy of Sciences.