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Veronica Macaluso
Veronica Macaluso
Post doc at IRB Barcelona
Verified email at dcci.unipi.it
Title
Cited by
Cited by
Year
Model Simulations of the Thermal Dissociation of the TIK(H+)2 Tripeptide: Mechanisms and Kinetic Parameters
Z Homayoon, S Pratihar, E Dratz, R Snider, R Spezia, GL Barnes, ...
The Journal of Physical Chemistry A 120 (42), 8211-8227, 2016
422016
Unimolecular dissociation of peptides: statistical vs. non-statistical fragmentation mechanisms and time scales
R Spezia, A Martin-Somer, V Macaluso, Z Homayoon, S Pratihar, ...
Faraday Discussions 195, 599-618, 2016
332016
Role of chemical dynamics simulations in mass spectrometry studies of collision-induced dissociation and collisions of biological ions with organic surfaces
A Martin Somer, V Macaluso, GL Barnes, L Yang, S Pratihar, K Song, ...
Journal of the American Society for Mass Spectrometry 31 (1), 2-24, 2019
312019
Chemical dynamics simulations of CID of peptide ions: comparisons between TIK (H+) 2 and TLK (H+) 2 fragmentation dynamics, and with thermal simulations
Z Homayoon, V Macaluso, A Martin-Somer, MCNB Muniz, I Borges, ...
Physical Chemistry Chemical Physics 20 (5), 3614-3629, 2018
222018
l-Cysteine Modified by S-Sulfation: Consequence on Fragmentation Processes Elucidated by Tandem Mass Spectrometry and Chemical Dynamics Simulations
V Macaluso, D Scuderi, ME Crestoni, S Fornarini, D Corinti, E Dalloz, ...
The Journal of Physical Chemistry A 123 (17), 3685-3696, 2019
192019
Elucidating the role of structural fluctuations, and intermolecular and vibronic interactions in the spectroscopic response of a bacteriophytochrome
V Macaluso, L Cupellini, G Salvadori, F Lipparini, B Mennucci
Physical Chemistry Chemical Physics 22 (16), 8585-8594, 2020
142020
Threshold for shattering fragmentation in collision-induced dissociation of the doubly protonated tripeptide TIK (H+) 2
V Macaluso, Z Homayoon, R Spezia, WL Hase
Physical Chemistry Chemical Physics 20 (30), 19744-19749, 2018
142018
Fragmentation spectra prediction and DNA adducts structural determination
A Carrà, V Macaluso, PW Villalta, R Spezia, S Balbo
Journal of The American Society for Mass Spectrometry 30 (12), 2771-2784, 2019
132019
The structural changes in the signaling mechanism of bacteriophytochromes in solution revealed by a multiscale computational investigation
V Macaluso, G Salvadori, L Cupellini, B Mennucci
Chemical Science 12 (15), 5555-5565, 2021
92021
Solvent structure around Lanthanoid (III) ions in liquid DMSO As revealed by polarizable molecular dynamics simulations
E Bodo, V Macaluso, R Spezia
The Journal of Physical Chemistry B 119 (42), 13347-13357, 2015
62015
NB; Borges, I.; Hase, WL; Spezia, R. Chemical dynamics simulations of CID of peptide ions: comparisons between TIK (H+) 2 and TLK (H+) 2 fragmentation dynamics, and with …
Z Homayoon, V Macaluso, A Martin-Somer, MC Muniz
Phys. Chem. Chem. Phys 20, 3614-3629, 2018
52018
Protein control of photochemistry and transient intermediates in phytochromes
G Salvadori, V Macaluso, G Pellicci, L Cupellini, G Granucci, B Mennucci
Nature Communications 13 (1), 6838, 2022
32022
Ultrafast transient infrared spectroscopy of photoreceptors with polarizable QM/MM dynamics
V Macaluso, S Hashem, M Nottoli, F Lipparini, L Cupellini, B Mennucci
The Journal of Physical Chemistry B 125 (36), 10282-10292, 2021
22021
From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domain
S Hashem, V Macaluso, M Nottoli, F Lipparini, L Cupellini, B Mennucci
Chemical Science 12 (40), 13331-13342, 2021
22021
Photochemistry and transient intermediates in a bacteriophytochrome photocycle revealed by multiscale simulations
G Salvadori, V Macaluso, G Pellicci, L Cupellini, G Granucci, B Mennucci
https://doi.org/10.26434/chemrxiv-2022-gp9dm, 2022
12022
Theoretical modelling of gas phase collision induced dissociation of biomolecules
V Macaluso
Université Paris, 2018
2018
Modélisation théorique de la dissociation induite par collision en phase gazeuse de biomolécules
V Macaluso
Université Paris-Saclay (ComUE), 2018
2018
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Articles 1–17