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The Journal of Physical Chemistry. B|October 3, 2015
Solvent Structure around Lanthanoid(III) Ions in Liquid DMSO As Revealed by Polarizable Molecular Dynamics SimulationsEnrico Bodo, Veronica Macaluso, Riccardo Spezia
Chemical Science|June 25, 2021
The structural changes in the signaling mechanism of bacteriophytochromes in solution revealed by a multiscale computational investigationVeronica Macaluso, Giacomo Salvadori, Lorenzo Cupellini, et al.
Physical Chemistry Chemical Physics : PCCP|July 25, 2018
Threshold for shattering fragmentation in collision-induced dissociation of the doubly protonated tripeptide TIK(H+)2Veronica Macaluso, Zahra Homayoon, Riccardo Spezia, et al.
Physical Chemistry Chemical Physics : PCCP|April 8, 2020
Elucidating the role of structural fluctuations, and intermolecular and vibronic interactions in the spectroscopic response of a bacteriophytochromeVeronica Macaluso, Lorenzo Cupellini, Giacomo Salvadori, et al.
Journal of the American Society for Mass Spectrometry|November 8, 2019
Fragmentation Spectra Prediction and DNA Adducts Structural DeterminationAndrea Carrà, Veronica Macaluso, Peter W Villalta, et al.
Chemical Science|November 15, 2021
From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domainShaima Hashem, Veronica Macaluso, Michele Nottoli, et al.
Nature Communications|November 12, 2022
Protein control of photochemistry and transient intermediates in phytochromesGiacomo Salvadori, Veronica Macaluso, Giulia Pellicci, et al.
The Journal of Physical Chemistry. B|September 3, 2021
Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM DynamicsVeronica Macaluso, Shaima Hashem, Michele Nottoli, et al.
PNAS Nexus|November 20, 2025
Molecular simulations meet personalized medicine: The mechanism of action of CLC-5 antiporter and the origin of Dent's diseaseVeronica Macaluso, Carles Pérez, Robert Soliva, et al.
Faraday Discussions|October 7, 2016
Unimolecular dissociation of peptides: statistical vs. non-statistical fragmentation mechanisms and time scalesRiccardo Spezia, Ana Martin-Somer, Veronica Macaluso, et al.
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