List of works - Agostino Migliore

2'-Deoxy-2'-fluoro-arabinonucleic acid: a valid alternative to DNA for biotechnological applications using charge transport

scientific article published on 01 October 2019

A single AT-GC exchange can modulate charge transfer-induced p53-DNA dissociation

scientific article published on 01 December 2018

Ab initio study of the structural, tautomeric, pairing, and electronic properties of seleno-derivatives of thymine

scientific article published in October 2009

Biochemistry and theory of proton-coupled electron transfer

scientific article

Charge Transfer between [4Fe4S] Proteins and DNA Is Unidirectional: Implications for Biomolecular Signaling

scientific article published on 25 October 2018

Charge transfer in dynamical biosystems, or the treachery of (static) images

scientific article

Correlation between Charge Transport and Base Excision Repair in the MutY-DNA Glycosylase

scientific article published on 28 December 2020

Covalently bonded single-molecule junctions with stable and reversible photoswitched conductivity.

scientific article published in June 2016

Defusing redox bombs?

scientific article

Determinants of Photolyase's DNA Repair Mechanism in Mesophiles and Extremophiles

scientific article published on 13 February 2018

Dynamical treatment of charge transfer through duplex nucleic acids containing modified adenines.

scientific article published on 30 September 2013

Electron transfer characteristics of 2'-deoxy-2'-fluoro-arabinonucleic acid, a nucleic acid with enhanced chemical stability

scientific article published on 07 September 2018

Evaluation of Electronic Coupling in Transition-Metal Systems Using DFT: Application to the Hexa-Aquo Ferric-Ferrous Redox Couple

scientific article published on 01 February 2009

First principles effective electronic couplings for hole transfer in natural and size-expanded DNA.

scientific article published on July 2009

First-principles density-functional theory calculations of electron-transfer rates in azurin dimers.

scientific article published in February 2006

How To Extract Quantitative Information on Electronic Transitions from the Density Functional Theory "Black Box"

scientific article published on 05 August 2019

Irreversibility and hysteresis in redox molecular conduction junctions.

scientific article published on 14 June 2013

Long-range charge transport in single G-quadruplex DNA molecules.

scientific article published on 26 October 2014

Mapping hole hopping escape routes in proteins

scientific article published on 24 July 2019

Mutation effects on charge transport through the p58c iron-sulfur protein

scientific article published on 21 February 2020

Nonlinear charge transport in redox molecular junctions: a Marcus perspective

scientific article published on 14 July 2011

Nonorthogonality Problem and Effective Electronic Coupling Calculation: Application to Charge Transfer in π-Stacks Relevant to Biochemistry and Molecular Electronics

scientific article published on 11 May 2011

On the relationship between molecular state and single electron pictures in simple electrochemical junctions.

scientific article

Quantum Mechanical and Quantum Mechanical/Molecular Mechanical Studies of the Iron-Dioxygen Intermediates and Proton Transfer in Superoxide Reductase

scientific article published on 01 September 2010

Quantum transport with two interacting conduction channels.

scientific article published in May 2013

Quantum–Classical Hybrid Systems and Ehrenfest’s Theorem

scientific article published in 2023

Sensing of molecules using quantum dynamics

scientific article published on 24 April 2015

Water Effects on Electron Transfer in Azurin Dimers

scientific article published on 01 November 2006

Water-Mediated Electron Transfer between Protein Redox Centers

scientific article published on 21 March 2007

Where Is the Electronic Oscillator Strength? Mapping Oscillator Strength across Molecular Absorption Spectra

scientific article (publication date: 24 March 2016)

List of works by Agostino Migliore

2'-Deoxy-2'-fluoro-arabinonucleic acid: a valid alternative to DNA for biotechnological applications using charge transport

A single AT-GC exchange can modulate charge transfer-induced p53-DNA dissociation

Ab initio study of the structural, tautomeric, pairing, and electronic properties of seleno-derivatives of thymine

Biochemistry and theory of proton-coupled electron transfer

Charge Transfer between [4Fe4S] Proteins and DNA Is Unidirectional: Implications for Biomolecular Signaling

Charge transfer in dynamical biosystems, or the treachery of (static) images

Correlation between Charge Transport and Base Excision Repair in the MutY-DNA Glycosylase

Covalently bonded single-molecule junctions with stable and reversible photoswitched conductivity.

Defusing redox bombs?

Determinants of Photolyase's DNA Repair Mechanism in Mesophiles and Extremophiles

Dynamical treatment of charge transfer through duplex nucleic acids containing modified adenines.

Electron transfer characteristics of 2'-deoxy-2'-fluoro-arabinonucleic acid, a nucleic acid with enhanced chemical stability

Evaluation of Electronic Coupling in Transition-Metal Systems Using DFT: Application to the Hexa-Aquo Ferric-Ferrous Redox Couple

First principles effective electronic couplings for hole transfer in natural and size-expanded DNA.

First-principles density-functional theory calculations of electron-transfer rates in azurin dimers.

How To Extract Quantitative Information on Electronic Transitions from the Density Functional Theory "Black Box"

Irreversibility and hysteresis in redox molecular conduction junctions.

Long-range charge transport in single G-quadruplex DNA molecules.

Mapping hole hopping escape routes in proteins

Mutation effects on charge transport through the p58c iron-sulfur protein

Nonlinear charge transport in redox molecular junctions: a Marcus perspective

Nonorthogonality Problem and Effective Electronic Coupling Calculation: Application to Charge Transfer in π-Stacks Relevant to Biochemistry and Molecular Electronics

On the relationship between molecular state and single electron pictures in simple electrochemical junctions.

Quantum Mechanical and Quantum Mechanical/Molecular Mechanical Studies of the Iron-Dioxygen Intermediates and Proton Transfer in Superoxide Reductase

Quantum transport with two interacting conduction channels.

Quantum–Classical Hybrid Systems and Ehrenfest’s Theorem

Sensing of molecules using quantum dynamics

Water Effects on Electron Transfer in Azurin Dimers

Water-Mediated Electron Transfer between Protein Redox Centers

Where Is the Electronic Oscillator Strength? Mapping Oscillator Strength across Molecular Absorption Spectra