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List of works by Stefano Corni

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Formation and relaxation of excited states in solution: a new time dependent polarizable continuum model based on time dependent density functional theory.

scientific article published in March 2006
Electronic excitation energies of molecules in solution: State specific and linear response methods for nonequilibrium continuum solvation models

article
Electronic excitation energies of molecules in solution within continuum solvation models: Investigating the discrepancy between state-specific and linear-response methods

article
Molecular properties in solution described with a continuum solvation model

article
GolP-CHARMM: First-Principles Based Force Fields for the Interaction of Proteins with Au(111) and Au(100).

scientific article published on 13 February 2013
Docking of Ubiquitin to Gold Nanoparticles

scientific article published on 10 October 2012
Fluorescence Enhancement of Chromophores Close to Metal Nanoparticles. Optimal Setup Revealed by the Polarizable Continuum Model

article
GolP: An atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water

scientific article published on 01 July 2009
Probing the influence of citrate-capped gold nanoparticles on an amyloidogenic protein

scientific article published on 4 March 2015
Including image charge effects in the molecular dynamics simulations of molecules on metal surfaces

scientific article published in July 2008
A polarizable continuum model for molecules at diffuse interfaces.

scientific article published in February 2004
Interaction of β-Sheet Folds with a Gold Surface

scientific article published on June 7, 2011
Vibrational Circular Dichroism within the Polarizable Continuum Model: A Theoretical Evidence of Conformation Effects and Hydrogen Bonding for (S)-(−)-3-Butyn-2-ol in CCl4Solution

article
Modeling and simulation of protein-surface interactions: achievements and challenges

scientific article published on January 2016
First principles effective electronic couplings for hole transfer in natural and size-expanded DNA.

scientific article published on July 2009
Unravelling single metalloprotein electron transfer by scanning probe techniques.

scientific article published on 3 August 2006
Facet selectivity in gold binding peptides: exploiting interfacial water structure

scientific article published on 23 June 2015
Nonequilibrium formulation of infrared frequencies and intensities in solution: Analytical evaluation within the polarizable continuum model

article
Radiative and nonradiative decay rates of a molecule close to a metal particle of complex shape

scientific article published in November 2004
The interaction with gold suppresses fiber-like conformations of the amyloid β (16–22) peptide

scientific article published on 01 April 2016
ProMetCS: An Atomistic Force Field for Modeling Protein-Metal Surface Interactions in a Continuum Aqueous Solvent

scientific article published on 16 April 2010
The Reversible Opening of Water Channels in Cytochrome c Modulates the Heme Iron Reduction Potential

scientific article published on 09 August 2012
Single-molecule folding mechanism of an EF-hand neuronal calcium sensor

article by Pétur O Heidarsson et al published 8 October 2013 in Structure
A few key residues determine the high redox potential shift in azurin mutants.

scientific article published on 18 September 2015
The Active Site Loop Modulates the Reorganization Energy of Blue Copper Proteins by Controlling the Dynamic Interplay with Solvent

scientific article published on 12 February 2013
First-principles density-functional theory calculations of electron-transfer rates in azurin dimers.

scientific article published in February 2006
The cavity electromagnetic field within the polarizable continuum model of solvation.

scientific article
Interaction of Amino Acids with the Au(111) Surface: Adsorption Free Energies from Molecular Dynamics Simulations

scientific article published on 01 June 2010
Plasmon-controlled light-harvesting: design rules for biohybrid devices via multiscale modeling

scientific article published on 30 August 2013
Enthalpy-Entropy Tuning in the Adsorption of Nucleobases at the Au(111) Surface

scientific article published in April 2014
Water-Mediated Electron Transfer between Protein Redox Centers

scientific article published on 21 March 2007
Proteinâ surface interactions: challenging experiments and computations

scientific article published on 01 May 2010
Can we control the electronic energy transfer in molecular dyads through metal nanoparticles? A QM/continuum investigation

scientific article
Load-induced confinement activates diamond lubrication by water.

scientific article published on 2 October 2013
The Reorganization Energy of Azurin in Bulk Solution and in the Electrochemical Scanning Tunneling Microscopy Setup

scientific article published on 01 March 2005
Citrate-stabilized gold nanoparticles hinder fibrillogenesis of a pathological variant of β2-microglobulin.

scientific article published on 7 March 2017
Extending the essential dynamics analysis to investigate molecular properties: application to the redox potential of proteins.

scientific article published on 24 June 2016
Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: application to real-time TDDFT.

scientific article published on 23 December 2014
Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations

scientific article
The structure of neuronal calcium sensor-1 in solution revealed by molecular dynamics simulations

scientific article
Surface-Enhanced Fluorescence within a Metal Nanoparticle Array: The Role of Solvent and Plasmon Couplings

Direct monitoring of opto-mechanical switching of self-assembled monolayer films containing the azobenzene group.

scientific article published on 20 December 2011
Can small hydrophobic gold nanoparticles inhibit β2-microglobulin fibrillation?

scientific article published on 01 July 2014
Surface Packing Determines the Redox Potential Shift of Cytochrome c Adsorbed on Gold

scientific article published on 03 September 2014
Hydroxyl-Rich β-Sheet Adhesion to the Gold Surface in Water by First-Principle Simulations

scientific article published on 01 April 2010
Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces

scientific article published in August 2006
Quantum Mechanical Approach to Solvent Effects on the Optical Properties of Metal Nanoparticles and Their Efficiency As Excitation Energy Transfer Acceptors

article published in 2010
Electronic Coupling Between Azurin and Gold at Different Protein/Substrate Orientations

scientific article published on 01 August 2007
Modeling opto-electronic properties of a dye molecule in proximity of a semiconductor nanoparticle.

scientific article published in July 2013
How To Identify Plasmons from the Optical Response of Nanostructures.

scientific article published on 26 June 2017

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