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 [articolo]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 [articolo]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 [articolo]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 [articolo]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 [articolo]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 [articolo]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 [articolo]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 [articolo]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 [articolo]
Stadler A.M.; Schneidewind J.; Zamponi M.; Knieps-Grunhagen E.; Gholami S.; Schwaneberg U.; Rivalta I.; Garavelli M.; Davari M.D.; Jaeger K.-E.; Krauss U., Ternary Complex Formation and Photoactivation of a Photoenzyme Results in Altered Protein Dynamics, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2019, 123, pp. 7372 - 7384 [articolo]
Borrego-Varillas R.; Nenov A.; Ganzer L.; Oriana A.; Manzoni C.; Tolomelli A.; Rivalta I.; Mukamel S.; Garavelli M.; Cerullo G., Two-dimensional UV spectroscopy: A new insight into the structure and dynamics of biomolecules, «CHEMICAL SCIENCE», 2019, 10, pp. 9907 - 9921 [articolo]Open Access
GARAVELLI, NENOV, RIVALTA, WEINGART, ALTOE', SEGARRA-MARTI, DOKUKINA IRINA, COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations, «JOURNAL OF MOLECULAR MODELING», 2018, 24, Article number: 271, pp. 271 - 271 [articolo]
Negre, Christian F.A.; Morzan, Uriel N.; Hendrickson, Heidi P.; Pal, Rhitankar; Lisi, George P.; Patrick Loria, J.; Rivalta, Ivan; Ho, Junming; Batista, Victor S., Eigenvector centrality for characterization of protein allosteric pathways, «PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA», 2018, 115, pp. E12201 - E12208 [articolo]Open Access
Palermo, Giulia; Chen, Janice S.; Ricci, Clarisse G.; Rivalta, Ivan; Jinek, Martin; Batista, Victor S.; Doudna, Jennifer A.; McCammon, J Andrew, Key role of the REC lobe during CRISPR-Cas9 activation by 'sensing', 'regulating', and 'locking' the catalytic HNH domain, «QUARTERLY REVIEWS OF BIOPHYSICS», 2018, 51, pp. 1 - 11 [articolo]Open Access
Segarra-Marti Javier, Zvereva Elena, Marazzi Marco, Brazard Johanna, Dumont Elise, Assfeld Xavier, Haacke Stefan, Garavelli Marco, Monari Antonio, Leonard Jeremie, Rivalta Ivan, Resolving the Singlet Excited State Manifold of Benzophenone by First-Principles Simulations and Ultrafast Spectroscopy, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2018, 14, pp. 2570 - 2585 [articolo]
