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]
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]
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 [Scientific article]
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 [Scientific article]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 [Scientific article]
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 [Scientific article]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 [Scientific article]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 [Scientific article]
Zvereva Elena, Segarra-Marti Javier, Marazzi Marco, Brazard Johanna, Nenov Artur, Weingart Oliver, Leonard Jeremie, Garavelli Marco, Rivalta Ivan, Dumont Elise, Assfeld Xavier, Haacke Stefan, Monari Antonio, The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone, «PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES», 2018, 17, pp. 323 - 331 [Scientific article]
Javier Segarra-Martí; Ana J. Pepino; Artur Nenov; Shaul Mukamel; Marco Garavelli; Ivan Rivalta, The highly excited-state manifold of guanine: calibration for nonlinear electronic spectroscopy simulations, «THEORETICAL CHEMISTRY ACCOUNTS», 2018, 137, Article number: 47 , pp. 47 - 47 [Scientific article]
Gholami Samira, Nenov Artur, Rivalta Ivan, Bocola Marco, Bordbar A. Khalegh, Schwaneberg Ulrich, Davari Mehdi D., Garavelli Marco, Theoretical Model of the Protochlorophyllide Oxidoreductase from a Hierarchy of Protocols, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2018, 122, pp. 7668 - 7681 [Scientific article]
Segarra, Nenov, Garavelli, Rivalta, Mukamel Shaul, Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy, «TOPICS IN CURRENT CHEMISTRY», 2018, 376, Article number: 24 , pp. 24 - 24 [Scientific article]
Segarra-Marti Javier, Jaiswal Vishal K., Pepino Ana Julieta, Giussani Angelo, Nenov Artur, Mukamel Shaul, Garavelli Marco, Rivalta Ivan, Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates, «FARADAY DISCUSSIONS», 2018, 207, pp. 233 - 250 [Scientific article]
Segatta, Gdor Itay, Rehault Julien, Taioli Simone, Friedman Noga, Sheves Mordechai, Rivalta Ivan, Ruhman Sanford, Cerullo Giulio, Garavelli Marco, Ultrafast Carotenoid to Retinal Energy Transfer in Xanthorhodopsin Revealed by the Combination of Transient Absorption and Two-Dimensional Electronic Spectroscopy, «CHEMISTRY-A EUROPEAN JOURNAL», 2018, 24, pp. 12084 - 12092 [Scientific article]Open Access
Ana Julieta Pepino; Javier Segarra-Martí; Artur Nenov; Ivan Rivalta; Roberto Improta; Marco Garavelli, UV-induced long-lived decays in solvated pyrimidine nucleosides resolved at the MS-CASPT2/MM level, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2018, 20, pp. 6877 - 6890 [Scientific article]
