Pubblicazioni

Activated wetting of nanostructured surfaces: reaction coordinates, finite size effects, and simulation pitfalls

2018 - JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL

Amabili, M.; Meloni, S.; Giacomello, A.; Casciola, C. M.

Human aquaporin 4 gating dynamics under axially oriented electric-field impulses: A non-equilibrium molecular-dynamics study

2018 - THE JOURNAL OF CHEMICAL PHYSICS

Bernardi, M.; Marracino, P.; Ghaani, M. R.; Liberti, M.; Del Signore, F.; Burnham, C. J.; Garate, J. -A.; Apollonio, F.; English, N. J.

Leveraging the cruzain S3 subsite to increase affinity for reversible covalent inhibitors

2018 - BIOORGANIC CHEMISTRY

Cianni, Lorenzo; Sartori, Geraldo; Rosini, Fabiana; De Vita, Daniela; Pires, Gabriel; Lopes, Bianca Rebelo; LeitÃ£o, Andrei; Burtoloso, Antonio C B; Montanari, Carlos A

Computational modeling of the effective Youngâs modulus values of fullerene molecules: a combined molecular dynamics simulation and continuum shell model

2018 - JOURNAL OF MOLECULAR MODELING

Ghavanloo, E.; Izadi, R.; Nayebi, A.

yVDAC2, the second mitochondrial porin isoform of Saccharomyces cerevisiae

2018 - BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Guardiani, C.; Magri, A.; Karachitos, A.; Di Rosa, M. C.; Reina, S.; Bodrenko, I.; Messina, A.; Kmita, H.; Ceccarelli, M.; De Pinto, V.