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Author Letizia Chiodo

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Thermodynamics and Kinetics of Ion Permeation in Wild-Type and Mutated Open Active Conformation of the Human α7 Nicotinic Receptor.

Grazia Cottone, Letizia Chiodo, Luca Maragliano,

Molecular studies of human pentameric ligand-gated ion channels (LGICs) expressed in neurons and at neuromuscular junctions are of utmost importance in the development of therapeutic strategies for neurological disorders. We focus here on the nicotinic acetylcholine receptor nAChR-α7, a homopentameric channel widely expressed in the human brain, with a proven ... Read more >>

J Chem Inf Model (Journal of chemical information and modeling)
[2020, :]

Cited: 0 times

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Improved transition metal surface energies from a generalized gradient approximation developed for quasi two-dimensional systems.

Abhilash Patra, Subrata Jana, Lucian A Constantin, Letizia Chiodo, Prasanjit Samal,

Nonuniform density scaling in the quasi-two-dimensional (quasi-2D) regime is an important and challenging aspect of the density functional theory. Semilocal exchange-correlation energy functionals, developed by solving the dimensional crossover criterion in the quasi-2D regime, have great theoretical and practical importance. However, the only semilocal generalized gradient approximation (GGA) that has ... Read more >>

J Chem Phys (The Journal of chemical physics)
[2020, 152(15):151101]

Cited: 0 times

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Hepatitis B protein HBx binds the DLEU2 lncRNA to sustain cccDNA and host cancer-related gene transcription.

Debora Salerno, Letizia Chiodo, Vincenzo Alfano, Oceane Floriot, Grazia Cottone, Alexia Paturel, Matteo Pallocca, Marie-Laure Plissonnier, Safaa Jeddari, Laura Belloni, Mirjam Zeisel, Massimo Levrero, Francesca Guerrieri,

OBJECTIVE:The HBV HBx regulatory protein is required for transcription from the covalently closed circular DNA (cccDNA) minichromosome and affects the epigenetic control of both viral and host cellular chromatin. DESIGN:We explored, in relevant cellular models of HBV replication, the functional consequences of HBx interaction with DLEU2, a long non-coding RNA ... Read more >>

Gut (Gut)
[2020, :]

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Ab initio accelerated molecular dynamics study of the hydride ligands in the ruthenium complex: Ru(H2)2H2(P(C5H9)3)2.

Marco Lauricella, Letizia Chiodo, Giovanni Ciccotti, Alberto Albinati,

The dihydrogen complex Ru(H2)2H2(P(C5H9)3)2 has been investigated, via ab initio accelerated molecular dynamics, to elucidate the H ligands dynamics and possible reaction paths for H2/H exchange. We have characterized the free energy landscape associated with the H atoms positional exchange around the Ru centre. From the free energy landscape, we ... Read more >>

Phys Chem Chem Phys (Physical chemistry chemical physics : PCCP)
[2019, 21(45):25247-25257]

Cited: 0 times

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Biophysical modeling of C. elegans neurons: Single ion currents and whole-cell dynamics of AWCon and RMD.

Martina Nicoletti, Alessandro Loppini, Letizia Chiodo, Viola Folli, Giancarlo Ruocco, Simonetta Filippi,

C. elegans neuronal system constitutes the ideal framework for studying simple, yet realistic, neuronal activity, since the whole nervous system is fully characterized with respect to the exact number of neurons and the neuronal connections. Most recent efforts are devoted to investigate and clarify the signal processing and functional connectivity, ... Read more >>

PLoS ONE (PloS one)
[2019, 14(7):e0218738]

Cited: 2 times

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Closed-Locked and Apo-Resting State Structures of the Human α7 Nicotinic Receptor: A Computational Study.

Letizia Chiodo, Thérèse E Malliavin, Sergio Giuffrida, Luca Maragliano, Grazia Cottone,

Nicotinic acetylcholine receptors, belonging to the Cys-loop superfamily of ligand-gated ion channels (LGICs), are membrane proteins present in neurons and at neuromuscular junctions. They are responsible for signal transmission, and their function is regulated by neurotransmitters, agonists, and antagonists drugs. A detailed knowledge of their conformational transition in response to ... Read more >>

J Chem Inf Model (Journal of chemical information and modeling)
[2018, 58(11):2278-2293]

Cited: 1 time

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Structure, electronic, and optical properties of TiO2 atomic clusters: an ab initio study.

Letizia Chiodo, Martin Salazar, Aldo H Romero, Savio Laricchia, Fabio Della Sala, Angel Rubio,

Atomic clusters of TiO(2) are modeled by means of state-of-the-art techniques to characterize their structural, electronic and optical properties. We combine ab initio molecular dynamics, static density functional theory, time-dependent density functional theory, and many body techniques, to provide a deep and comprehensive characterization of these systems. TiO(2) clusters can ... Read more >>

J Chem Phys (The Journal of chemical physics)
[2011, 135(24):244704]

Cited: 10 times

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Nonuniform scaling applied to surface energies of transition metals.

Letizia Chiodo, Lucian A Constantin, Eduardo Fabiano, Fabio Della Sala,

We construct a generalized gradient approximation of the exchange-correlation energy that satisfies the nonuniform scaling in one dimension and is accurate in the whole quasi-two-dimensional (Q2D) regime. Using spatial and energetic analyses of metal (111) surfaces, we show that the Q2D behavior is important at the surface of most transition ... Read more >>

Phys. Rev. Lett. (Physical review letters)
[2012, 108(12):126402]

Cited: 6 times

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An ab initio study of the magnetic-metallic CoPt(3)-Au interfaces.

Letizia Chiodo, Fabio Della Sala, Teresa Pellegrino, Roberto Cingolani, Liberato Manna,

The new challenging field of fabrication and interconnection of inorganic nanostructures is giving new impetus to the study of solid-solid interfacial properties. In nanocrystals made of two domains of different chemical composition and sharing an interface, the interfacial behavior is indeed critical for the stability of such an interface, and ... Read more >>

J Phys Condens Matter (Journal of physics. Condensed matter : an Institute of Physics journal)
[2009, 21(1):015001]

Cited: 0 times

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Imaging photoelectron transmission through self-assembled monolayers: the work-function of alkanethiols coated gold.

Despina Fragouli, Theofanis N Kitsopoulos, Letizia Chiodo, Fabio Della Sala, Roberto Cingolani, Supratim G Ray, Ron Naaman,

In this paper, we present a new approach for studying the electronic properties of self-assembled monolayers and their interaction with a conductive substrate, the low-energy photoelectron imaging spectroscopy (LEPIS). LEPIS relies on imaging of photoelectrons ejected from a conductive substrate and subsequently transmitted through organic monolayers. Using this method, we ... Read more >>

Langmuir (Langmuir : the ACS journal of surfaces and colloids)
[2007, 23(11):6156-6162]

Cited: 7 times

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