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Maria Gabriella Chiariello

Observed names: Chiariello, Maria Gabriella, M. Gabriella Chiariello, chiariello, Maria Gabriella
Observed institutions: University of Groningen, Forschungszentrum Jülich, Angelo State University, Jülich Aachen Research Alliance, Zernike Institute for Advanced Materials, University of Naples Federico II
ORCID: 0000-0003-1076-682X
Observed ORCID: 0000-0003-1076-682X
OpenAlex ID: A5027731237
Modeling Excited-State Proton Transfer to Solvent: A Dynamics Study of a Super Photoacid with a Hybrid Implicit/Explicit Solvent Model
2020 · Umberto Raucci, Maria Gabriella Chiariello, et al. · Journal of Chemical Theory and Computation · 41
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Exploring Nuclear Photorelaxation of Pyranine in Aqueous Solution: an Integrated Ab-Initio Molecular Dynamics and Time Resolved Vibrational Analysis Approach
2018 · Maria Gabriella Chiariello, Nadia Rega · The Journal of Physical Chemistry A · 37
Exploring the Franck–Condon region of a photoexcited charge transfer complex in solution to interpret femtosecond stimulated Raman spectroscopy: excited state electronic structure methods to unveil non-radiative pathways
2021 · Federico Coppola, Paola Cimino, et al. · Chemical Science · 35
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Molecular Basis of CLC Antiporter Inhibition by Fluoride
2020 · Maria Gabriella Chiariello, Viacheslav Bolnykh, et al. · Journal of the American Chemical Society · 32
Unveiling anharmonic coupling by means of excited state ab initio dynamics: application to diarylethene photoreactivity
2018 · Maria Gabriella Chiariello, Umberto Raucci, et al. · Physical Chemistry Chemical Physics · 31
On the different strength of photoacids
2016 · Paola Cimino, Umberto Raucci, et al. · Theoretical Chemistry Accounts · 31
Time-Resolved Vibrational Analysis of Excited State Ab Initio Molecular Dynamics to Understand Photorelaxation: The Case of the Pyranine Photoacid in Aqueous Solution
2020 · Maria Gabriella Chiariello, Greta Donati, et al. · Journal of Chemical Theory and Computation · 28
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pH-Dependent Conformational Switch Impacts Stability of the PsbS Dimer
2023 · Maria Gabriella Chiariello, Fabian Grünewald, et al. · The Journal of Physical Chemistry Letters · 24
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Structural Origin and Vibrational Fingerprints of the Ultrafast Excited State Proton Transfer of the Pyranine-Acetate Complex in Aqueous Solution
2021 · Maria Gabriella Chiariello, Greta Donati, et al. · The Journal of Physical Chemistry B · 20
Water-Mediated Excited State Proton Transfer of Pyranine–Acetate in Aqueous Solution: Vibrational Fingerprints from Ab Initio Molecular Dynamics
2021 · Maria Gabriella Chiariello, Umberto Raucci, et al. · The Journal of Physical Chemistry A · 20
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Unveiling the structure of a novel artificial heme‐enzyme with peroxidase‐like activity: A theoretical investigation
2018 · Fulvio Perrella, Umberto Raucci, et al. · Biopolymers · 20
An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions
2020 · Umberto Raucci, Maria Gabriella Chiariello, et al. · Journal of Computational Chemistry · 19
Mechanisms Underlying Proton Release in CLC-type F–/H+ Antiporters
2021 · Maria Gabriella Chiariello, Mercedes Alfonso-Prieto, et al. · The Journal of Physical Chemistry Letters · 16
Martini 3 Coarse-Grained Model for the Cofactors Involved in Photosynthesis
2024 · Maria Gabriella Chiariello, Rubi Zarmiento-Garcia, et al. · International Journal of Molecular Sciences · 12
Efficient computational implementation of polymer physics models to explore chromatin structure
2019 · Mattia Conte, Andrea Esposito, et al. · International Journal of Parallel Emergent and Distributed Systems · 8
Peptide Electrostatic Modulation Directs Human Neural Cell Fate
2025 · Laura Perez‐Chirinos, Xavier Barceló, et al. · Advanced Science · 6
Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2
2024 · Anna M. Borowska, Maria Gabriella Chiariello, et al. · Nature Communications · 6
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Butyrate causes loss of specific acetylation by the histone acetyltransferase p300
2026 · Muwei Jiang, Anthi Psoma, et al. · iScience
Molecular Mechanisms of KIT Receptor Dimerization and Oncogenic Activation Revealed by Multiscale Simulations
2026 · Maria Gabriella Chiariello, Akash Deep Biswas, et al. · Journal of Chemical Information and Modeling
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Molecular Mechanisms of KIT Receptor Dimerization and Oncogenic Activation Revealed by Multiscale Simulations
2026 · chiariello, Maria Gabriella · Zenodo (CERN European Organization for Nuclear Research)
Optimization of the PRECISION workflow for Computational Drug Design
2026 · Akash Deep Biswas, Andrew Emerson, et al. · Procedia Computer Science
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Butyrate blocks specific histone acetylation by preventing recruitment of p300 to acetylated histones
2025 · Muwei Jiang, Anthi Psoma, et al. · bioRxiv (Cold Spring Harbor Laboratory)
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Excited State Time-Resolved Vibrational Dynamics: the Challenge of Charge Transfer Complexes
2019 · Federico Coppola, Paola Cimino, et al. · APS March Meeting Abstracts
Models and Methods to understand ultrafast dynamics in photochemistry
2018 · Maria Gabriella Chiariello
Works count: 25
Citation count: 386
H-index: 13
I10-index: 14
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