Pubblicazioni

Identification and structural characterization of an intermediate in the folding of the measles virus x domain

2016 - THE JOURNAL OF BIOLOGICAL CHEMISTRY

Bonetti, Daniela; Camilloni, Carlo; Visconti, Lorenzo; Longhi, Sonia; Brunori, Maurizio; Vendruscolo, Michele; Gianni, Stefano

An in-silico approach aimed to clarify the role of Y181C and K103N HIV-1 reverse transcriptase mutations versus Indole Aryl Sulphones

2016 - JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Massarotti, Alberto; Coluccia, Antonio

XANES reveals the flexible nature of hydrated Strontium in aqueous solution

2016 - JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL

D'Angelo, Paola; Migliorati, Valentina; Sessa, Francesco; Mancini, Giordano; Persson, Ingmar

Human aquaporin 4 gating dynamics under perpendicularly-oriented electric-field impulses: A molecular dynamics study

2016 - INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Marracino, Paolo; Liberti, Micaela; Trapani, Erika; Burnham, Christian J.; Avena, Massimiliano; Garate, JosÃ© Antonio; Apollonio, Francesca; English, Niall J.

Does high pressure induce structural reorganization in linear alcohols? A computational answer

2016 - CHEMPHYSCHEM

Mariani, Alessandro; Ballirano, Paolo; Angiolari, Federica; Caminiti, Ruggero; Gontrani, Lorenzo

Chloromethyl-oxirane and chloromethyl-thiirane in liquid phase: a joint experimental and quantum chemical study

2016 - CHEMICAL PHYSICS

CAMPETELLA, MARCO; BENCIVENNI, Luigi; CAMINITI, Ruggero; ZAZZA, COSTANTINO; Di Trapani, S.; Martino, A.; GONTRANI, Lorenzo

Choline salicylate ionic liquid by X-ray scattering, vibrational spectroscopy and molecular dynamics

2016 - JOURNAL OF MOLECULAR LIQUIDS

Tanzi, Luana; Nardone, Michele; Benassi, Paola; Ramondo, Fabio; Caminiti, Ruggero; Gontrani, Lorenzo

Effect of DNA on the conformational dynamics of the endonucleases I-DmoI as provided by molecular dynamics simulations

2016 - BIOPOLYMERS

Grottesi, Alessandro; Cecconi, Simone; Molina, Rafael; D'Abramo, Marco

Photoinduced electron transfer in a dichromophoric peptide: a numerical experiment

2016 - THEORETICAL CHEMISTRY ACCOUNTS

Aschi, Massimiliano; D'Abramo, Marco; Amadei, Andrea

A computational study of ion current modulation in hVDAC3 induced by disulfide bonds

2016 - BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Guardiani, C.; Leggio, L.; Scorciapino, M. A.; De Pinto, V.; Ceccarelli, M.