BRANCATO, Giuseppe

BRANCATO, Giuseppe  

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Titolo Data di pubblicazione Autori Tipo File
8-hydroxyquinoline-2-carboxylic acid as possible molybdophore: A multi-technique approach to define its chemical speciation, coordination and sequestering ability in aqueous solution 1-gen-2020 Brancato G.Lando G. + 1.1 Articolo in rivista
A discrete/continuum QM/MM MD study of the triplet state of acetone in aqueous solution 1-gen-2008 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
A hybrid explicit/implicit solvation method for first-principle molecular dynamics simulations 1-gen-2008 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
A mean field approach for molecular simulations of fluid systems 1-gen-2005 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
A Mean Field Approach for Molecular Simulations of Liquids and Solutions 1-gen-2005 BRANCATO, GiuseppeBARONE, Vincenzo + 4.1 Contributo in Atti di convegno
A polarizable multistate empirical valence bond model for proton transport in aqueous solution 1-gen-2005 BRANCATO, Giuseppe + 1.1 Articolo in rivista
A QM/MM/MF molecular dynamics study of acrolein in aqueous solution: analysis of H-bonding and bulk effects on spectroscopic properties 1-gen-2006 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
A quantum mechanical/molecular dynamics/mean field study of acrolein in aqueous solution: Analysis of H bonding and bulk effects on spectroscopic properties 1-gen-2006 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
Accurate density functional calculations of near-edge X-ray and optical absorption spectra of liquid water using nonperiodic boundary conditions: The role of self-interaction and long-range effects 1-gen-2008 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
Un approccio computazionale integrato per la modellizzazione di sistemi molecolari complessi in soluzione 1-gen-2008 BRANCATO, GiuseppeBARONE, Vincenzo + 4.1 Contributo in Atti di convegno
Benzothiopyranoindole-Based Antiproliferative Agents: Synthesis, Cytotoxicity, Nucleic Acids Interaction, and Topoisomerases Inhibition Properties 1-gen-2009 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
Boundary condition effects on the dynamic and electric properties of hydration layers 1-gen-2015 CHANDRAMOULI, BALASUBRAMANIANMANCINI, GIORDANOBRANCATO, Giuseppe + 1.1 Articolo in rivista
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism 1-gen-2015 CHANDRAMOULI, BALASUBRAMANIANDI MAIO, DANILOMANCINI, GIORDANOBARONE, VincenzoBRANCATO, Giuseppe 1.1 Articolo in rivista
Chain length, temperature and solvent effects on the structural properties of α-aminoisobutyric acid homooligopeptides 1-gen-2016 GRUBISIC, SonjaCHANDRAMOULI, BALASUBRAMANIANBARONE, VincenzoBRANCATO, Giuseppe 1.1 Articolo in rivista
Chapter 2. Extending the Range of Computational Spectroscopy by QM/MM Approaches. Time-dependent and Time-independent routes 1-gen-2010 BARONE, VincenzoBRANCATO, Giuseppe + 2.1 Contributo in volume (Capitolo o Saggio)
Chapter 9. First Principles Methods in Biology: From Continuum Models to Hybrid <i xmlns="http://www.rsc.org/schema/rscart38">Ab initio</i> Quantum Mechanics/Molecular Mechanics 1-gen-2016 BRANCATO, Giuseppe + 2.1 Contributo in volume (Capitolo o Saggio)
Combining the Fluctuating Charge Method, Non-periodic Boundary Conditions and Meta-dynamics: Aqua Ions as Case Studies 1-gen-2014 MANCINI, GIORDANOBRANCATO, GiuseppeBARONE, Vincenzo 1.1 Articolo in rivista
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations 1-gen-2017 Macchiagodena, MarinaDel Frate, GianlucaBrancato, GiuseppeChandramouli, BalasubramanianMancini, GiordanoBarone, Vincenzo 1.1 Articolo in rivista
Dual fluorescence through Kasha's rule breaking: an unconventional photomechanism for intracellular probe design 1-gen-2015 BRANCATO, GiuseppeBARONE, VincenzoBELTRAM, Fabio + 1.1 Articolo in rivista
Electrostatic and Structural Bases of Fe2+ Translocation through Ferritin Channels 1-gen-2016 CHANDRAMOULI, BALASUBRAMANIANDI MAIO, DANILOBRANCATO, Giuseppe + 1.1 Articolo in rivista