Aledavood E.; Gheeraert A.; Forte A.; Vuillon L.; Rivalta I.; Luque F.J.; Estarellas C., Elucidating the Activation Mechanism of AMPK by Direct Pan-Activator PF-739, «FRONTIERS IN MOLECULAR BIOSCIENCES», 2021, 8, Article number: 760026 , pp. 1 - 16 [Scientific article]Open Access
Cesari C.; Femoni C.; Funaioli T.; Iapalucci M.C.; Rivalta I.; Ruggieri S.; Zacchini S., Heterometallic rhodium clusters as electron reservoirs: Chemical, electrochemical, and theoretical studies of the centered-icosahedral [Rh12E(CO)27]n− atomically precise carbonyl compounds, «THE JOURNAL OF CHEMICAL PHYSICS», 2021, 155, Article number: 104301 , pp. 1 - 11 [Scientific article]Open Access
Meena S.K.; Lerouge F.; Baldeck P.; Andraud C.; Garavelli M.; Parola S.; Sulpizi M.; Rivalta I., On the origin of controlled anisotropic growth of monodisperse gold nanobipyramids, «NANOSCALE», 2021, 13, pp. 15292 - 15300 [Scientific article]Open Access
Conti I.; Bonfanti M.; Nenov A.; Rivalta I.; Garavelli M., Photo-Active Biological Molecular Materials: From Photoinduced Dynamics to Transient Electronic Spectroscopies, in: Challenges and Advances in Computational Chemistry and Physics, Basingstoke, Regno Unito, Springer Science and Business Media B.V., 2021, pp. 77 - 142 [Chapter or essay]
Conti, Irene; Bonfanti, Matteo; Nenov, Artur; Rivalta, Ivan; Garavelli, Marco, Photo-Active Biological Molecular Materials: From Photoinduced Dynamics to Transient Electronic Spectroscopies, in: QM/MM Studies of Light-responsive Biological Systems, Argovia, Springer Nature, 2021, pp. 77 - 142 (CHALLENGES AND ADVANCES IN COMPUTATIONAL CHEMISTRY AND PHYSICS) [Chapter or essay]Open Access
Cesari C.; Berti B.; Calcagno F.; Femoni C.; Garavelli M.; Iapalucci M.C.; Rivalta I.; Zacchini S., Polymerization isomerism in co-m (M = cu, ag, au) carbonyl clusters: Synthesis, structures and computational investigation, «MOLECULES», 2021, 26, Article number: 1529 , pp. 1 - 18 [Scientific article]Open Access
Borrego-Varillas, R.; Nenov, A.; Kabacinski, P.; Conti, I.; Ganzer, L.; Oriana, A.; Jaiswal, V. K.; Delfino, I.; Weingart, O.; Manzoni, C.; Rivalta, I.; Garavelli, M.; Cerullo, G., Tracking excited state decay mechanisms of pyrimidine nucleosides in real time, «NATURE COMMUNICATIONS», 2021, 12, Article number: 7285 , pp. 1 - 7 [Scientific article]Open Access
Saltalamacchia, Andrea; Casalino, Lorenzo; Borišek, Jure; Batista, Victor S.; Rivalta, Ivan; Magistrato, Alessandra, Decrypting the Information Exchange Pathways across the Spliceosome Machinery, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2020, 142, pp. 8403 - 8411 [Scientific article]Open Access
Di Russo E.; Blum I.; Rivalta I.; Houard J.; Da Costa G.; Vurpillot F.; Blavette D.; Rigutti L., Detecting Dissociation Dynamics of Phosphorus Molecular Ions by Atom Probe Tomography, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2020, 124, pp. 10977 - 10988 [Scientific article]Open Access
Jaiswal V.K.; Segarra-Marti J.; Marazzi M.; Zvereva E.; Assfeld X.; Monari A.; Garavelli M.; Rivalta I., First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2020, 22, pp. 15496 - 15508 [Scientific article]Open Access
Segarra-Marti J.; Segatta F.; Mackenzie T.A.; Nenov A.; Rivalta I.; Bearpark M.J.; Garavelli M., Modeling multidimensional spectral lineshapes from first principles: Application to water-solvated adenine, «FARADAY DISCUSSIONS», 2020, 221, pp. 219 - 244 [Scientific article]Open Access
Marcheselli J.; Chateau D.; Lerouge F.; Baldeck P.; Andraud C.; Parola S.; Baroni S.; Corni S.; Garavelli M.; Rivalta I., Simulating Plasmon Resonances of Gold Nanoparticles with Bipyramidal Shapes by Boundary Element Methods, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2020, 16, pp. 3807 - 3815 [Scientific article]Open Access
Massaro A.; Avila J.; Goloviznina K.; Rivalta I.; Gerbaldi C.; Pavone M.; Costa Gomes M.F.; Padua A.A.H., Sodium diffusion in ionic liquid-based electrolytes for Na-ion batteries: The effect of polarizable force fields, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2020, 22, pp. 20114 - 20122 [Scientific article]Open Access
Wodak, Shoshana J; Paci, Emanuele; Dokholyan, Nikolay V; Berezovsky, Igor N; Horovitz, Amnon; Li, Jing; Hilser, Vincent J; Bahar, Ivet; Karanicolas, John; Stock, Gerhard; Hamm, Peter; Stote, Roland H; Eberhardt, Jerome; Chebaro, Yassmine; Dejaegere, Annick; Cecchini, Marco; Changeux, Jean-Pierre; Bolhuis, Peter G; Vreede, Jocelyne; Faccioli, Pietro; Orioli, Simone; Ravasio, Riccardo; Yan, Le; Brito, Carolina; Wyart, Matthieu; Gkeka, Paraskevi; Rivalta, Ivan; Palermo, Giulia; McCammon, J Andrew; Panecka-Hofman, Joanna; Wade, Rebecca C; Di Pizio, Antonella; Niv, Masha Y; Nussinov, Ruth; Tsai, Chung-Jung; Jang, Hyunbum; Padhorny, Dzmitry; Kozakov, Dima; McLeish, Tom, Allostery in Its Many Disguises: From Theory to Applications, «STRUCTURE», 2019, 27, pp. 566 - 578 [Scientific article]Open Access
Gheeraert A.; Pacini L.; Batista V.S.; Vuillon L.; Lesieur C.; Rivalta I., Exploring Allosteric Pathways of a V-Type Enzyme with Dynamical Perturbation Networks, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2019, 123, pp. 3452 - 3461 [Scientific article]
