Laura Polzi-Zanetti

S3, Via G. Campi 213/A
Modena, 41125, Italy

Last Updated: 09/26/2026

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Found 40 publications

A general hydrogen-bond connectivity descriptor based on graph theory.

A general hydrogen-bond connectivity descriptor based on graph theory.

Journal: Physical chemistry chemical physics : PCCP

Published: June 16, 2026

Exploring channelrhodopsin-2 and gold nanocluster interaction: a route to control the protein photocycle.

Exploring channelrhodopsin-2 and gold nanocluster interaction: a route to control the protein photocycle.

Journal: Nanoscale

Published: June 16, 2026

A computational approach for the calculation of two-dimensional infrared spectra: Application to the amide I band.

A computational approach for the calculation of two-dimensional infrared spectra: Application to the amide I band.

Journal: The Journal of chemical physics

Published: December 01, 2025

Probing the environmental sensitivity of thymine CO vibrations through infrared spectra simulations.

Probing the environmental sensitivity of thymine CO vibrations through infrared spectra simulations.

Journal: Physical chemistry chemical physics : PCCP

Published: September 02, 2025

Size-dependent effect of nano-confinement of water in an ionic liquid matrix at low temperature.

Size-dependent effect of nano-confinement of water in an ionic liquid matrix at low temperature.

Journal: Physical chemistry chemical physics : PCCP

Published: August 29, 2025

Conformational heterogeneity and protonation equilibria shape the photocycle branching in channelrhodopsin-2.

Conformational heterogeneity and protonation equilibria shape the photocycle branching in channelrhodopsin-2.

Journal: International journal of biological macromolecules

Published: December 02, 2024

Early prediction of spinodal-like relaxation events in supercooled liquid water.

Early prediction of spinodal-like relaxation events in supercooled liquid water.

Journal: The Journal of chemical physics

Published: March 28, 2024

Tuning the low-temperature phase behavior of aqueous ionic liquids.

Tuning the low-temperature phase behavior of aqueous ionic liquids.

Journal: Physical chemistry chemical physics : PCCP

Published: March 12, 2024

A statistical mechanical model of supercooled water based on minimal clusters of correlated molecules.

A statistical mechanical model of supercooled water based on minimal clusters of correlated molecules.

Journal: The Journal of chemical physics

Published: May 08, 2023

Thermodynamic Evolution of a Metamorphic Protein: A Theoretical-Computational Study of Human Lymphotactin.

Thermodynamic Evolution of a Metamorphic Protein: A Theoretical-Computational Study of Human Lymphotactin.

Journal: The protein journal

Published: May 03, 2023

Evidence for a high pKa of an aspartic acid residue in the active site of CALB by a fully atomistic multiscale approach.

Evidence for a high pKa of an aspartic acid residue in the active site of CALB by a fully atomistic multiscale approach.

Journal: Journal of biomolecular structure & dynamics

Published: May 20, 2022

Photophysical and Computational Insights into Ag(I) Complexation of Porphyrinic Covalent Cages Equipped with Triazoles-Incorporating Linkers.

Photophysical and Computational Insights into Ag(I) Complexation of Porphyrinic Covalent Cages Equipped with Triazoles-Incorporating Linkers.

Journal: The journal of physical chemistry. B

Published: April 28, 2022

Showing 1-12 of 40

Last Updated: 09/26/2026