Ivan Rivalta
Ivan Rivalta
Alma Mater Studiorium - Università di Bologna
Patvirtintas el. paštas - Pagrindinis puslapis
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Journal of computational chemistry 37 (5), 506-541, 2016
Allostery in its many disguises: from theory to applications
SJ Wodak, E Paci, NV Dokholyan, IN Berezovsky, A Horovitz, J Li, ...
Structure 27 (4), 566-578, 2019
S1-State Model of the O2-Evolving Complex of Photosystem II
S Luber, I Rivalta, Y Umena, K Kawakami, JR Shen, N Kamiya, ...
Biochemistry 50 (29), 6308-6311, 2011
Allosteric pathways in imidazole glycerol phosphate synthase
I Rivalta, MM Sultan, NS Lee, GA Manley, JP Loria, VS Batista
Proceedings of the National Academy of Sciences 109 (22), E1428-E1436, 2012
Eigenvector centrality for characterization of protein allosteric pathways
CFA Negre, UN Morzan, HP Hendrickson, R Pal, GP Lisi, JP Loria, ...
Proceedings of the National Academy of Sciences 115 (52), E12201-E12208, 2018
Structural–functional role of chloride in photosystem II
I Rivalta, M Amin, S Luber, S Vassiliev, R Pokhrel, Y Umena, K Kawakami, ...
Biochemistry 50 (29), 6312-6315, 2011
Protospacer adjacent motif-induced allostery activates CRISPR-Cas9
G Palermo, CG Ricci, A Fernando, R Basak, M Jinek, I Rivalta, VS Batista, ...
Journal of the American Chemical Society 139 (45), 16028-16031, 2017
Key role of the REC lobe during CRISPR–Cas9 activation by ‘sensing’,‘regulating’, and ‘locking’the catalytic HNH domain
G Palermo, JS Chen, CG Ricci, I Rivalta, M Jinek, VS Batista, JA Doudna, ...
Quarterly reviews of biophysics 51, e9, 2018
Oxomanganese complexes for natural and artificial photosynthesis
I Rivalta, GW Brudvig, VS Batista
Current opinion in chemical biology 16 (1-2), 11-18, 2012
Characterization of an amorphous iridium water-oxidation catalyst electrodeposited from organometallic precursors
JD Blakemore, MW Mara, MN Kushner-Lenhoff, ND Schley, SJ Konezny, ...
Inorganic chemistry 52 (4), 1860-1871, 2013
COBRAMM 2.0—A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations
O Weingart, A Nenov, P Altoè, I Rivalta, J Segarra-Martí, I Dokukina, ...
Journal of Molecular Modeling 24, 1-30, 2018
Facile ecofriendly synthesis of monastrol and its structural isomers via biginelli reaction
M Oliverio, P Costanzo, M Nardi, I Rivalta, A Procopio
ACS Sustainable Chemistry & Engineering 2 (5), 1228-1233, 2014
Two-dimensional UV spectroscopy: a new insight into the structure and dynamics of biomolecules
R Borrego-Varillas, A Nenov, L Ganzer, A Oriana, C Manzoni, A Tolomelli, ...
Chemical Science 10 (43), 9907-9921, 2019
Ab initio simulations of two‐dimensional electronic spectra: The SOS//QM/MM approach
I Rivalta, A Nenov, G Cerullo, S Mukamel, M Garavelli
International Journal of Quantum Chemistry 114 (2), 85-93, 2014
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ...
Journal of Chemical Theory and Computation 19 (20), 6933-6991, 2023
UV-induced long-lived decays in solvated pyrimidine nucleosides resolved at the MS-CASPT2/MM level
AJ Pepino, J Segarra-Martí, A Nenov, I Rivalta, R Improta, M Garavelli
Physical Chemistry Chemical Physics 20 (10), 6877-6890, 2018
Allosteric Pathways in the PPARγ-RXRα nuclear receptor complex
CG Ricci, RL Silveira, I Rivalta, VS Batista, MS Skaf
Scientific Reports 6 (1), 19940, 2016
Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy
A Nenov, A Giussani, J Segarra-Martí, VK Jaiswal, I Rivalta, G Cerullo, ...
The Journal of Chemical Physics 142 (21), 2015
Solution NMR and computational methods for understanding protein allostery
G Manley, I Rivalta, JP Loria
The Journal of Physical Chemistry B 117 (11), 3063-3073, 2013
Electrostatic effects on proton coupled electron transfer in oxomanganese complexes inspired by the oxygen-evolving complex of photosystem II
M Amin, L Vogt, S Vassiliev, I Rivalta, MM Sultan, D Bruce, GW Brudvig, ...
The Journal of Physical Chemistry B 117 (20), 6217-6226, 2013
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Straipsniai 1–20