Miron, G. D.; Semelak, J. A.; Grisanti, L.; Rodriguez, A.; Conti, I.; Stella, M.; Velusamy, J.; Seriani, N.; Doslic, N.; Rivalta, I.; Garavelli, M.; Estrin, D. A.; Kaminski Schierle, G. S.; Gonzalez Lebrero, M. C.; Hassanali, A.; Morzan, U. N., The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter, «NATURE COMMUNICATIONS», 2023, 14, Article number: 7325, pp. 1 - 13 [articolo]Open Access
Li Manni, G.; Fde, z. Galvan I.; Alavi, A.; Aleotti, F.; Aquilante, F.; Autschbach, J.; Avagliano, D.; Baiardi, A.; Bao, J. J.; Battaglia, S.; Birnoschi, L.; Blanco-Gonzalez, A.; Bokarev, S. I.; Broer, R.; Cacciari, R.; Calio, P. B.; Carlson, R. K.; Carvalho Couto, R.; Cerdan, L.; Chibotaru, L. F.; Chilton, N. F.; Church, J. R.; Conti, I.; Coriani, S.; Cuellar-Zuquin, J.; Daoud, R. E.; Dattani, N.; Decleva, P.; de Graaf, C.; Delcey, M. G.; De Vico, L.; Dobrautz, W.; Dong, S. S.; Feng, R.; Ferre, N.; Filatov, M.; Gagliardi, L.; Garavelli, M.; Gonzalez, L.; Guan, Y.; Guo, M.; Hennefarth, M. R.; Hermes, M. R.; Hoyer, C. E.; Huix-Rotllant, M.; Jaiswal, V. K.; Kaiser, A.; Kaliakin, D. S.; Khamesian, M.; King, D. S.; Kochetov, V.; Krosnicki, M.; Kumaar, A. A.; Larsson, E. D.; Lehtola, S.; Lepetit, M. -B.; Lischka, H.; Lopez Rios, P.; Lundberg, M.; Ma, D.; Mai, S.; Marquetand, P.; Merritt, I. C. D.; Montorsi, F.; Morchen, M.; Nenov, A.; Nguyen, V. H. A.; Nishimoto, Y.; Oakley, M. S.; Olivucc, The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2023, 19, pp. 6933 - 6991 [articolo]Open Access
Maschietto F.; Morzan U.N.; Tofoleanu F.; Gheeraert A.; Chaudhuri A.; Kyro G.W.; Nekrasov P.; Brooks B.; Loria J.P.; Rivalta I.; Batista V.S., Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase, «NATURE COMMUNICATIONS», 2023, 14, Article number: 2239, pp. 1 - 13 [articolo]Open Access
Francesco Calcagno, Alessandro Messori, Anna Gagliardi, Cristiana Cesari,
Fabrizio Cavani, Fahmi Himo, Ivan Rivalta, Rita Mazzoni, Unravelling the Mechanism of the Guerbet Reaction Catalyzed by a Ruthenium Catalyst: a Synergistic Computational and Experimental Study, in: XXV Conference on Organometallic Chemistry - EuCOMC XXV, 2023, pp. 163 - 163 (atti di: XXV Conference on Organometallic Chemistry - EuCOMC XXV, Alcalá de Henares (Madrid), Spain, 4 - 8 settembre 2023) [atti di convegno-abstract]
Cesari, Cristiana; Gagliardi, Anna; Messori, Alessandro; Monti, Nicola; Zanotti, Valerio; Zacchini, Stefano; Rivalta, Ivan; Calcagno, Francesco; Lucarelli, Carlo; Tabanelli, Tommaso; Cavani, Fabrizio; Mazzoni, Rita, Boosting the guerbet reaction: A cooperative catalytic system for the efficient bio-ethanol refinery to second-generation biofuels, «JOURNAL OF CATALYSIS», 2022, 405, pp. 47 - 59 [articolo]Open Access
Anna GAGLIARDI, Cristiana CESARI, Alessandro MESSORI, Nicola MONTI, Carlo LUCARELLI, Tommaso TABANELLI, Valerio ZANOTTI, Francesco CALCAGNO, Ivan RIVALTA, Fabrizio CAVANI, Rita MAZZONI, BOOSTING THE GUERBET REACTION: A COOPERATIVE HOMOGENEOUS CATALYTIC SYSTEM FOR BIOETHANOL REFINERY TO SECOND-GENERATION BIOFUELS, in: ICCC 2022 — 45th International Conference on Coordination Chemistry, 2022, pp. 407 - 407 (atti di: ICCC 2022 — 45th International Conference on Coordination Chemistry,, Rimini, IT, 28/08/2022-02/09/2022) [atti di convegno-abstract]
Alessandro Messori, Cristiana Cesari, Anna Gagliardi, Nicola Monti , Valerio Zanotti, Stefano Zacchini, Ivan Rivalta, Francesco Calcagno, Carlo Lucarelli, Tommaso Tabanelli, Fabrizio Cavani, Rita Mazzoni, Boosting the Guerbet reaction: a cooperative homogeneous catalytic system for bioethanol refinery to second-generation biofuels, in: International Green Catalysis Symposium & Advanced School - GreenCat 2022, 2022, pp. P30 - P30 (atti di: International Green Catalysis Symposium & Advanced School - GreenCat 2022, Rennes, 19-22/04/2022) [atti di convegno-abstract]
Maschietto F.; Gheeraert A.; Piazzi A.; Batista V.S.; Rivalta I., Distinct allosteric pathways in imidazole glycerol phosphate synthase from yeast and bacteria, «BIOPHYSICAL JOURNAL», 2022, 121, pp. 119 - 130 [articolo]
Lisi, George P; Rivalta, Ivan; Venditti, Vincenzo, Recensione a: Editorial: Structural and Dynamic Aspects of Protein Function and Allostery, «FRONTIERS IN MOLECULAR BIOSCIENCES», 2022, 9, pp. 1 - 2 [recensione]Open Access
Ruolo editoriale nella rivista «Frontiers in Molecular Biosciences»
Rita Mazzoni;Cristiana Cesari;Anna Gagliardi;Alessandro Messori;Valerio Zanotti;Ivan Rivalta;Francesco Calcagno;Tommaso Tabanelli;Carlo Lucarelli;Fabrizio Cavani, How to bring alcohols out of the Guerbet’s labyrinth: an efficient homogeneous catalytic approach, in: XXII National Congress of Catalysis, GIC-2022, 2022, pp. 68 - 68 (atti di: XXII National Congress of Catalysis, GIC-2022, Riccione (Hotel Corallo), 11-14 settembre 2022) [atti di convegno-abstract]
Carone A.; Mariani P.; Desert A.; Romanelli M.; Marcheselli J.; Garavelli M.; Corni S.; Rivalta I.; Parola S., Insight on Chirality Encoding from Small Thiolated Molecule to Plasmonic Au@Ag and Au@Au Nanoparticles, «ACS NANO», 2022, 16, pp. 1089 - 1101 [articolo]Open Access
Fanciullo, Giacomo; Conti, Irene; Didier, Pascal; Klymchenko, Andrey; Léonard, Jérémie; Garavelli, Marco; Rivalta, Ivan, Modelling quenching mechanisms of disordered molecular systems in the presence of molecular aggregates, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2022, 24, pp. 1787 - 1794 [articolo]Open Access
Gheeraert, Aria; Vuillon, Laurent; Chaloin, Laurent; Moncorgé, Olivier; Very, Thibaut; Perez, Serge; Leroux, Vincent; Chauvot de Beauchêne, Isaure; Mias-Lucquin, Dominique; Devignes, Marie-Dominique; Rivalta, Ivan; Maigret, Bernard, Singular Interface Dynamics of the SARS-CoV-2 Delta Variant Explained with Contact Perturbation Analysis, «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2022, 62, pp. 3107 - 3122 [articolo]Open Access
Alessandro Messori, Cristiana Cesari, Anna Gagliardi, Ivan Rivalta, Francesco Calcagno, Fabrizio Cavani, Rita Mazzoni, The Guerbet reaction kinetic enigma; how co-catalysts play a crucial role in the catalytic cycle, in: MYCS 2022, 2022, pp. 24 - 24 (atti di: Merck Young Chemists’ Symposium XXI edition, Rimini, 21-23/11/2022) [atti di convegno-abstract]
