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 [articolo]
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 [articolo]
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 [articolo]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 [articolo]
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 [articolo]
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 [articolo]
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 [articolo]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 [articolo]
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 [articolo]
Bonvicini, Andrea; Demoulin, Baptiste; Altavilla, Salvatore F.; Nenov, Artur; El-Tahawy, Mohsen M. T.; Segarra-Martí, Javier; Giussani, Angelo; Batista, Victor S.; Garavelli, Marco; Rivalta, Ivan, Ultraviolet vision: photophysical properties of the unprotonated retinyl Schiff base in the Siberian hamster cone pigment, «THEORETICAL CHEMISTRY ACCOUNTS», 2016, 135, Article number: 110, pp. 1 - 10 [articolo]
Altavilla, Salvatore F.; Segarra-Martí, Javier; Nenov, Artur; Conti, Irene; Rivalta, Ivan; Garavelli, Marco, Deciphering the photochemical mechanisms describing the UV-induced processes occurring in solvated guanine monophosphate, «FRONTIERS IN CHEMISTRY», 2015, 3, Article number: 29, pp. 29 - 40 [articolo]
Conti, I.; Nenov, A.; Hoefinger, S.; Altavilla, S. F.; Rivalta, I.; Dumont, E.; Orlandi, G.; Garavelli, M., Excited state evolution of DNA stacked adenines resolved at the CASPT2//CASSCF/Amber level: from the bright to the excimer state and back, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2015, 17, pp. 7291 - 7302 [articolo]
Nenov, A.; Giussani, A.; Segarra-Marti, J.; Jaiswal, V.K.; Rivalta, I.; Cerullo, G.; Mukamel, S.; Garavelli, M., Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy, «THE JOURNAL OF CHEMICAL PHYSICS», 2015, 142, pp. 212443 - 212443 [articolo]
Nenov, Artur; Segarra-Martí, Javier; Giussani, Angelo; Conti, Irene; Rivalta, Ivan; Dumont, Elise; Jaiswal, Vishal K.; Altavilla, Salvatore Flavio; Mukamel, Shaul; Garavelli, Marco, Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations, «FARADAY DISCUSSIONS», 2015, 177, pp. 345 - 362 [articolo]
Sánchez-De-Armas, Rocío*; Brena, Barbara; Rivalta, Ivan; Araujo, C. Moyses, Soft X-ray Spectroscopic Properties of Ruthenium Complex Catalyst under CO2 Electrochemical Reduction Conditions: A First-Principles Study, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2015, 119, pp. 22899 - 22907 [articolo]
