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List of works by Valentina Tozzini

2D materials. Graphene, related two-dimensional crystals, and hybrid systems for energy conversion and storage

scientific article

A Minimalist Model of Protein Diffusion and Interactions: The Green Fluorescent Protein within the Cytoplasm

article

A coarse grained model for the dynamics of flap opening in HIV-1 protease

article

A multi-scale-multi-stable model for the rhodopsin photocycle.

scientific article published on 18 September 2014

Ab Initio Molecular Dynamics of the Green Fluorescent Protein (GFP) Chromophore: An Insight into the Photoinduced Dynamics of Green Fluorescent Proteins

article

An insight into hypothesized biological mechanisms contributing to the Flash effect

scientific article published on 22 May 2023

Atomic and electronic structure of Si dangling bonds in quasi-free-standing monolayer graphene

scientific article published on 12 July 2017

Binding pathways of ligands to HIV-1 protease: coarse-grained and atomistic simulations

scientific article published in January 2007

Building Minimalist Models for Functionalized Metal Nanoparticles

scientific article published on 02 July 2019

Cis–trans photoisomerization of the chromophore in the green fluorescent protein variant E2GFP: A molecular dynamics study

article

Coarse-grained force field for the nucleosome from self-consistent multiscaling

Coarse-grained models for proteins

scientific article

Coherent Dynamics of Photoexcited Green Fluorescent Proteins

scientific article published in Physical Review Letters

Complexes of HIV-1 integrase with HAT proteins: multiscale models, dynamics, and hypotheses on allosteric sites of inhibition.

scientific article published in September 2009

Correction to “Influence of Graphene Curvature on Hydrogen Adsorption: Toward Hydrogen Storage Devices”

scholarly article published in Journal of Physical Chemistry C

Diffusion within the cytoplasm: a mesoscale model of interacting macromolecules

scientific article published on 2 December 2014

Dispersion Laws of Collective Excitations in Crystalline and Superfluid4He Related via Density-Functional Theory

Electronic structure and Peierls instability in graphene nanoribbons sculpted in graphane

article

Engineered Green Fluorescence Proteins for Proteomics and Biomolecular Electronic Applications

Evolutionary Algorithm in the Optimization of a Coarse-Grained Force Field

scientific article published on 21 October 2013

Evolutionary Switches Structural Transitions via Coarse-Grained Models

scientific article published on 26 November 2019

Exploring global motions and correlations in the ribosome

scientific article

Flap opening dynamics in HIV-1 protease explored with a coarse-grained model

article

Fullerene-like III−V Clusters: A Density Functional Theory Prediction

GCN5-dependent acetylation of HIV-1 integrase enhances viral integration

scientific article published on 12 March 2010

Gated binding of ligands to HIV-1 protease: Brownian dynamics simulations in a coarse-grained model

scientific article

Genetic Algorithm Optimization of Force Field Parameters: Application to a Coarse-Grained Model of RNA

article

Graphene-based technologies for energy applications, challenges and perspectives

article by Etienne Quesnel et al published 6 August 2015 in 2D Materials

Green Fluorescent Proteins and Their Applications to Cell Biology and Bioelectronics

HIV-1 protease substrate binding and product release pathways explored with coarse-grained molecular dynamics

scientific article

Hydrogen Storage in Rippled Graphene: Perspectives from Multi-Scale Simulations

Hydrogen transport within graphene multilayers by means of flexural phonons

In Silico design, building and gas adsorption of nano-porous graphene scaffolds

scientific article published on 05 October 2020

Increasing the active surface of titanium islands on graphene by nitrogen sputtering ⬇️

scholarly article by T. Mashoff et al published 23 February 2015 in Applied Physics Letters

Influence of Graphene Curvature on Hydrogen Adsorption: Toward Hydrogen Storage Devices

Intrinsic structural and electronic properties of the Buffer Layer on Silicon Carbide unraveled by Density Functional Theory

scientific article published on 30 August 2018

Lattice vibrations and elastic constants of crystalline and near low-temperature melting

article

Lattice vibrations and elastic constants of three- and two-dimensional quantal Wigner crystals near melting

article

Low-Resolution Models for the Interaction Dynamics of Coated Gold Nanoparticles with β2-microglobulin

scientific article published on 08 August 2019

Mapping all-atom models onto one-bead Coarse Grained Models: general properties and applications to a minimal polypeptide model

scientific article published in January 2006

Minimalist Model for the Dynamics of Helical Polypeptides: A Statistic-Based Parametrization

scientific article published on 31 July 2014

Minimalist models for biopolymers: Open problems, latest advances and perspectives

article published in 2012

Minimalist models for proteins: a comparative analysis

scientific article published on 16 August 2010

Multiscale modeling of proteins

scientific article published on February 2010

Multistable Rippling of Graphene on SiC: A Density Functional Theory Study

Nano-Scale Corrugations in Graphene: A Density Functional Theory Study of Structure, Electronic Properties and Hydrogenation

scholarly article by Antonio Rossi et al published 26 March 2015 in Journal of Physical Chemistry C

Optimization of Analytical Potentials for Coarse-Grained Biopolymer Models

scientific article published on 5 May 2016

Photoreversible Dark State in a Tristable Green Fluorescent Protein Variant

Prospects for hydrogen storage in graphene

scientific article published on 19 November 2012

Raman study of chromophore states in photochromic fluorescent proteins

scientific article published in January 2009

Relationship between structure and optical properties in green fluorescent proteins: a quantum mechanical study of the chromophore environment

Revealing the Multibonding State between Hydrogen and Graphene-Supported Ti Clusters ⬇️

Reversible Hydrogen Storage by Controlled Buckling of Graphene Layers

SDPhound, a Mutual Information-Based Method to Investigate Specificity-Determining Positions

SecStAnT: secondary structure analysis tool for data selection, statistics and models building

scientific article

Spontaneous Formation and Stability of Small GaP Fullerenes

scientific article published in Physical Review Letters

Structural Transition States Explored With Minimalist Coarse Grained Models: Applications to Calmodulin

scientific article published on 15 October 2019

Supercoiling and Local Denaturation of Plasmids with a Minimalist DNA Model

article

The chromophore of asFP595: a theoretical study

scientific article published in May 2006

The influence of macromolecular crowding on HIV-1 protease internal dynamics

scientific article published on May 2006

The low frequency vibrational modes of green fluorescent proteins

article

Unraveling localized states in quasi free standing monolayer graphene by means of Density Functional Theory

scholarly article in Carbon, vol. 130, April 2018

Variation of spectral, structural, and vibrational properties within the intrinsically fluorescent proteins family: A density functional study

article

Vibrational Properties of DsRed Model Chromophores

article

Vibrational and Elastic Properties of the Wigner Electron Lattice Near Melting

article

Vibrational and elastic properties of alkali halides near melting

article

Vibrational and elastic properties of the hot solid related to the static and dynamic structure of the liquid within density functional theory

article

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