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List of works by Laura Zanetti-Polzi

A dynamical approach to non-adiabatic electron transfers at the bio-inorganic interface.

scientific article published on 31 March 2016

A few key residues determine the high redox potential shift in azurin mutants.

scientific article published on 18 September 2015

A quantitative connection of experimental and simulated folding landscapes by vibrational spectroscopy

scientific article published on 03 October 2018

Alternative Electron-Transfer Channels Ensure Ultrafast Deactivation of Light-Induced Excited States in Riboflavin Binding Protein

scientific article published on 30 June 2017

Analysis of infrared spectra of β-hairpin peptides as derived from molecular dynamics simulations

scientific article published on 26 September 2011

Computational evidence support the hypothesis of neuroglobin also acting as an electron transfer species.

scientific article

Cooperative protein-solvent tuning of proton transfer energetics: carbonic anhydrase as a case study

scientific article published on 28 August 2020

Evidence of a Thermodynamic Ramp for Hole Hopping to Protect a Redox Enzyme from Oxidative Damage

scientific article published on 15 March 2019

Extending the essential dynamics analysis to investigate molecular properties: application to the redox potential of proteins.

scientific article published on 24 June 2016

Hydration Shell of Antifreeze Proteins: Unveiling the Role of Non-Ice-Binding Surfaces

scientific article published on 19 July 2019

New insight into the IR-spectra/structure relationship in amyloid fibrils: a theoretical study on a prion peptide.

scientific article published on 8 July 2011

On the nature of solvatochromic effect: The riboflavin absorption spectrum as a case study.

scientific article

Parallel folding pathways of Fip35 WW domain explained by infrared spectra and their computer simulation

scientific article published on 7 September 2017

Simulation of the amide I infrared spectrum in photoinduced peptide folding/unfolding transitions

scientific article published on 03 October 2013

Structure of the lipodepsipeptide syringomycin E in phospholipids and sodium dodecylsulphate micelle studied by circular dichroism, NMR spectroscopy and molecular dynamics.

scientific article

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

scientific article published on 16 December 2020

Surface Packing Determines the Redox Potential Shift of Cytochrome c Adsorbed on Gold

scientific article published on 03 September 2014

Tip-Enhanced Infrared Difference-Nanospectroscopy of the Proton Pump Activity of Bacteriorhodopsin in Single Purple Membrane Patches

scientific article published on 17 April 2019

Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic properties

scientific article published on 14 May 2018

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