Isabella Daidone

University of L'Aquila — Italy

Biochemistry, Genetics and Molecular Biology · Life Sciences

29h-index2.8kcitations139works1.72yr avg
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Research Topics

Protein Structure and Dynamics(56), Spectroscopy and Quantum Chemical Studies(47), Enzyme Structure and Function(17), Photosynthetic Processes and Mechanisms(15), Photochemistry and Electron Transfer Studies(12)

Publications138 total

On the Origin of the Red-Shifted Flavin Absorption Spectra in Fatty Acid Photodecarboxylase
The Journal of Physical Chemistry B·2025Open Access
Insights into Substrate Protonation and Solvent Accessibility in the Active Site of Fatty Acid Photodecarboxylase
The Journal of Physical Chemistry Letters·2025Open Access
Enantiopurity-Dependent Peptide Coacervates and Asymmetric Organocatalysis
2025Open Access
Plasmon-Enhanced Circular Dichroism for Enantiomeric Discrimination of Chiral Drug Solutions
2025
Revisiting the “Cluster‐In‐Solvent” Approach for Computational Spectroscopy: The Vibrational Circular Dichroism as a Test Case
Journal of Computational Chemistry·2025· 2 citedOpen Access
Protein Secondary Structure Patterns in Short‐Range Cross‐Link Atlas
Angewandte Chemie International Edition·2025Open Access
Protein Secondary Structure Patterns in Short‐Range Cross‐Link Atlas
Angewandte Chemie·2025Open Access
Protein Secondary Structure Patterns In Short-Range Cross-Link Atlas
2025Open Access
Conformational heterogeneity and protonation equilibria shape the photocycle branching in channelrhodopsin-2
International Journal of Biological Macromolecules·2025Open Access
Size-dependent effect of nano-confinement of water in an ionic liquid matrix at low temperature
Physical Chemistry Chemical Physics·2025Open Access
Unveiling cofactor inhibition mechanisms in horse liver alcohol dehydrogenase: An allosteric driven regulation
Bioorganic Chemistry·2024· 4 citedOpen Access
Unique Electron Donor–Acceptor Complex Conformation Ensures Both the Efficiency and Enantioselectivity of Photoinduced Radical Cyclization in a Non-natural Photoenzyme
ACS Catalysis·2024· 9 cited
Applying Computational Spectroscopy Methods to Raman Spectra of Dicationic, Imidazolium-Based, Ionic Liquids
The Journal of Physical Chemistry B·2024· 1 cited
Mechanisms in the Synthesis of <i>S</i>‐Alcohols with 1,4‐NADH Biomimetic Co‐factor N‐Benzyl‐1,4‐dihydronicotinamide using Horse Liver Alcohol Dehydrogenase: A Hybrid Computational Study
ChemBioChem·2024Open Access
Structural and dynamic behaviour of concentrated aqueous solutions of (poly)ethylene glycols: Insight into the impact of hydrophobicity, hydrogen bonding and chain length
Journal of Molecular Liquids·2024· 5 cited
Early prediction of spinodal-like relaxation events in supercooled liquid water
The Journal of Chemical Physics·2024· 1 citedOpen Access
Intermolecular Photoinduced Electron Transfer in Biosystems: Impact of Conformational Transitions and Multiple Channels on Kinetics
ChemPhotoChem·2024· 2 citedOpen Access
Tuning the low-temperature phase behavior of aqueous ionic liquids
Physical Chemistry Chemical Physics·2024· 4 citedOpen Access
Excitation landscape of the CP43 photosynthetic antenna complex from multiscale simulations
Chemical Science·2024· 6 citedOpen Access
Macromolecular vs molecular crowding in aqueous solutions: A comparative study of PEG400 and ethylene glycol
Journal of Molecular Liquids·2023· 14 cited
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Frequent Co-authors

Andrea Amadei(28), Laura Zanetti‐Polzi(23), Massimiliano Aschi(15), Jeremy C. Smith(13), Alfredo Di Nola(12), Carlo Augusto Bortolotti(7), Leighton Coates(5), James C. Gumbart(5), Jerry M. Parks(5), Micholas Dean Smith(5), Stefano Corni(5), Atanu Acharya(4), Rupesh Agarwal(4), Jens Gläser(4), Ada Sedova(4), Josh V. Vermaas(4), Danilo Roccatano(4), Marco Borsari(4), Marco D’Abramo(4), Ànna Pavlova(4)