Hugo Gattuso
Hugo Gattuso
Post Doctoral fellow University of Liège
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Excited-states of a rhenium carbonyl diimine complex: solvation models, spin–orbit coupling, and vibrational sampling effects
S Mai, H Gattuso, M Fumanal, A Muñoz-Losa, A Monari, C Daniel, ...
Physical Chemistry Chemical Physics 19 (40), 27240-27250, 2017
Circular dichroism of DNA G-quadruplexes: combining modeling and spectroscopy to unravel complex structures
H Gattuso, A Spinello, A Terenzi, X Assfeld, G Barone, A Monari
The Journal of Physical Chemistry B 120 (12), 3113-3121, 2016
Photophysics of chlorin e6: from one-and two-photon absorption to fluorescence and phosphorescence
H Gattuso, A Monari, M Marazzi
RSC advances 7 (18), 10992-10999, 2017
Correlation of bistranded clustered abasic DNA lesion processing with structural and dynamic DNA helix distortion
E Bignon, H Gattuso, C Morell, F Dehez, AG Georgakilas, A Monari, ...
Nucleic acids research 44 (18), 8588-8599, 2016
Modeling DNA electronic circular dichroism by QM/MM methods and Frenkel Hamiltonian
H Gattuso, X Assfeld, A Monari
9th Congress on Electronic Structure: Principles and Applications (ESPA 2014 …, 2016
QM/MM modeling of Harmane cation fluorescence spectrum in water solution and interacting with DNA
T Etienne, H Gattuso, A Monari, X Assfeld
Computational and Theoretical Chemistry 1040, 367-372, 2014
Dynamics of the excited-state hydrogen transfer in a (dG)·(dC) homopolymer: intrinsic photostability of DNA
A Francés-Monerris, H Gattuso, D Roca-Sanjuán, I Tuñón, M Marazzi, ...
Chemical science 9 (41), 7902-7911, 2018
From non-covalent binding to irreversible DNA lesions: nile blue and nile red as photosensitizing agents
H Gattuso, V Besancenot, S Grandemange, M Marazzi, A Monari
Scientific reports 6 (1), 1-10, 2016
Hydrogen abstraction by photoexcited benzophenone: consequences for DNA photosensitization
M Marazzi, M Wibowo, H Gattuso, E Dumont, D Roca-Sanjuán, A Monari
Physical Chemistry Chemical Physics 18 (11), 7829-7836, 2016
Two-photon-absorption DNA sensitization via solvated electron production: unraveling photochemical pathways by molecular modeling and simulation
H Gattuso, E Dumont, M Marazzi, A Monari
Physical Chemistry Chemical Physics 18 (27), 18598-18606, 2016
Repair rate of clustered abasic DNA lesions by human endonuclease: molecular bases of sequence specificity
H Gattuso, E Durand, E Bignon, C Morell, AG Georgakilas, E Dumont, ...
The journal of physical chemistry letters 7 (19), 3760-3765, 2016
Nile blue and Nile red optical properties predicted by TD-DFT and CASPT2 methods: static and dynamic solvent effects
M Marazzi, H Gattuso, A Monari
Theoretical Chemistry Accounts 135 (3), 1-11, 2016
Novel molecular-dynamics-based protocols for phase space sampling in complex systems
S Mai, H Gattuso, A Monari, L González
Frontiers in chemistry 6, 495, 2018
Conformational polymorphism or structural invariance in DNA photoinduced lesions: implications for repair rates
F Dehez, H Gattuso, E Bignon, C Morell, E Dumont, A Monari
Nucleic acids research 45 (7), 3654-3662, 2017
DNA photosensitization by an “insider”: Photophysics and triplet energy transfer of 5-Methyl-2-pyrimidone deoxyribonucleoside
E Bignon, H Gattuso, C Morell, E Dumont, A Monari
Chem.–Eur. J 21, 11509-11516, 2015
Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process
E Bignon, M Marazzi, V Besancenot, H Gattuso, G Drouot, C Morell, ...
Scientific reports 7 (1), 1-10, 2017
Deciphering the photosensitization mechanisms of hypericin towards biological membranes
H Gattuso, M Marazzi, F Dehez, A Monari
Physical Chemistry Chemical Physics 19 (34), 23187-23193, 2017
Fluorene-imidazole dyes excited states from first-principles calculations—Topological insights
T Etienne, H Gattuso, C Michaux, A Monari, X Assfeld, EA Perpète
Theoretical Chemistry Accounts 135 (4), 111, 2016
Steady-state linear and non-linear optical spectroscopy of organic chromophores and bio-macromolecules
M Marazzi, H Gattuso, A Monari, X Assfeld
Frontiers in chemistry 6, 86, 2018
Simulating the electronic circular dichroism spectra of photoreversible peptide conformations
H Gattuso, C García-Iriepa, D Sampedro, A Monari, M Marazzi
Journal of chemical theory and computation 13 (7), 3290-3296, 2017
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