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]
Lipchock, James M.; Hendrickson, Heidi P.; Douglas, Bonnie B.; Bird, Kelly E.; Ginther, Patrick S.; Rivalta, Ivan; Ten, Nicholas S.; Batista, Victor S.; Loria, J Patrick, Characterization of Protein Tyrosine Phosphatase 1B Inhibition by Chlorogenic Acid and Cichoric Acid, «BIOCHEMISTRY», 2017, 56, pp. 96 - 106 [Scientific article]
Demoulin, Baptiste; Altavilla, SALVATORE FLAVIO; Rivalta, Ivan; Garavelli, Marco, Fine Tuning of Retinal Photoinduced Decay in Solution, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2017, 8, pp. 4407 - 4412 [Scientific article]
Palermo, Giulia; Ricci, Clarisse G.; Fernando, Amendra; Basak, Rajshekhar; Jinek, Martin; Rivalta, Ivan; Batista, Victor S.; McCammon, J. Andrew, Protospacer Adjacent Motif-Induced Allostery Activates CRISPR-Cas9, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2017, 139, pp. 16028 - 16031 [Scientific article]Open Access
Rivalta, Ivan; Lisi, George P.; Snoeberger, Ning-Shiuan; Manley, Gregory; Loria, J. Patrick; Batista, Victor S., Allosteric Communication Disrupted by a Small Molecule Binding to the Imidazole Glycerol Phosphate Synthase Protein-Protein Interface, «BIOCHEMISTRY», 2016, 55, pp. 6484 - 6494 [Scientific article]
Ricci, Clarisse G.; Silveira, Rodrigo L.; Rivalta, Ivan; Batista, Victor S.; Skaf, Munir S.*, Allosteric Pathways in the PPARγ 3-RXRα nuclear receptor complex, «SCIENTIFIC REPORTS», 2016, 6, Article number: 19940 , pp. 19940 - 19956 [Scientific article]
Lisi, George P.; Manley, Gregory A.; Hendrickson, Heidi; Rivalta, Ivan; Batista, Victor S.*; Loria, J. Patrick, Dissecting Dynamic Allosteric Pathways Using Chemically Related Small-Molecule Activators, «STRUCTURE», 2016, 24, pp. 1155 - 1166 [Scientific article]
Aquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K.; Chibotaru, Liviu F.; Delcey, Mickaël G.; De Vico, Luca; Ignacio, Fdez. Galván; Ferré, Nicolas; Frutos, Luis Manuel; Gagliardi, Laura; Garavelli, Marco; Giussani, Angelo; Hoyer, Chad E.; Li Manni, Giovanni; Lischka, Hans; Ma, Dongxia; Malmqvist, Per Åke; Müller, Thomas; Nenov, Artur; Olivucci, Massimo; Pedersen, Thomas Bondo; Peng, Daoling; Plasser, Felix; Pritchard, Ben; Reiher, Markus; Rivalta, Ivan; Schapiro, Igor; Segarra-Martí, Javier; Stenrup, Michael; Truhlar, Donald G.; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Vysotskiy, Victor P.; Weingart, Oliver; Zapata, Felipe; Lindh, Roland, Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table, «JOURNAL OF COMPUTATIONAL CHEMISTRY», 2016, 37, pp. 506 - 541 [Scientific article]Open Access
Li, Quansong; Giussani, Angelo; Segarra-Martí, Javier; Nenov, Artur; Rivalta, Ivan; Voityuk, Alexander A.; Mukamel, Shaul; Roca-Sanjuán, Daniel; Garavelli, Marco; Blancafort, Lluís, Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate, «CHEMISTRY-A EUROPEAN JOURNAL», 2016, 22, pp. 7497 - 7507 [Scientific article]
Giussani, Angelo; Segarra-Martí, Javier; Nenov, Artur; Rivalta, Ivan; Tolomelli, Alessandra; Mukamel, Shaul; Garavelli, Marco, Spectroscopic fingerprints of DNA/RNA pyrimidine nucleobases in third-order nonlinear electronic spectra, «THEORETICAL CHEMISTRY ACCOUNTS», 2016, 135, Article number: 121 , pp. 1 - 18 [Scientific article]
