Sfoglia per Autore
Unraveling the peculiar modus operandi of a new class of solvatochromic fluorescent molecular rotors by spectroscopic and quantum mechanical methods
2013 Matthias, Koenig; Giovanni, Bottari; Brancato, Giuseppe; Barone, Vincenzo; Dirk M., Guldi; Tomás, Torres
An improved AMBER force field for α,α-dialkylated peptides: intrinsic and solvent-induced conformational preferences of model systems
2013 Sonja, Grubišić; Brancato, Giuseppe; Barone, Vincenzo
Extension of the AMBER Force Field for Nitroxide Radicals and Combined QM/MM/PCM Approach to the Accurate Determination of EPR Parameters of DMPO-H in Solution
2013 Laura, Hermosilla; Giacomo, Prampolini; Paloma, Calle; José Manuel García de la, Vega; Brancato, Giuseppe; Barone, Vincenzo
Combining the Fluctuating Charge Method, Non-periodic Boundary Conditions and Meta-dynamics: Aqua Ions as Case Studies
2014 Mancini, Giordano; Brancato, Giuseppe; Barone, Vincenzo
Ultrasound-induced transformation of fluorescent organic nanoparticles from a molecular rotor into rhomboidal nanocrystals with enhanced emission
2014 Koenig, Matthias; Torres, Tomás; Barone, Vincenzo; Brancato, Giuseppe; Guldi, Dirk M; Bottari, Giovanni
Reversible vapochromic response of polymer films doped with a highly emissive molecular rotor
2014 Minei, Pierpaolo; Koenig, Matthias; Battisti, Antonella; Ahmad, Muzaffer; Barone, Vincenzo; Torres, Tomas; Guldi, Dirk M.; Brancato, Giuseppe; Bottari, Giovanni; Pucci, Andrea
Boundary condition effects on the dynamic and electric properties of hydration layers
2015 Chandramouli, Balasubramanian; Zazza, Costantino; Mancini, Giordano; Brancato, Giuseppe
Dual fluorescence through Kasha's rule breaking: an unconventional photomechanism for intracellular probe design
2015 Brancato, Giuseppe; Signore, Giovanni; Neyroz, Paolo; Polli, Dario; Cerullo, Giulio; Abbandonato, Gerardo; Nucara, Luca; Barone, Vincenzo; Beltram, Fabio; Bizzarri, Ranieri
Organic solvent simulations under non-periodic boundary conditions: A library of effective potentials for the GLOB model
2015 Mancini, Giordano; Brancato, Giuseppe; Chandramouli, Balasubramanian; Barone, Vincenzo
Pathways and Barriers for Ion Translocation through the 5-HT3A Receptor Channel
2015 DI MAIO, Danilo; Chandramouli, Balasubramanian; Brancato, Giuseppe
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism
2015 Chandramouli, Balasubramanian; DI MAIO, Danilo; Mancini, Giordano; Barone, Vincenzo; Brancato, Giuseppe
Vapochromic behavior of polycarbonate films doped with a luminescent molecular rotor
2016 Minei, Pierpaolo; Ahmad, Muzaffer; Barone, Vincenzo; Brancato, Giuseppe; Passaglia, Elisa; Bottari, Giovanni; Pucci, Andrea
A fluorescent molecular rotor showing vapochromism, aggregation-induced emission, and environmental sensing in living cells
2016 Koenig, Matthias; Storti, Barbara; Bizzarri, Ranieri; Guldi, Dirk M.; Brancato, Giuseppe; Bottari, Giovanni
Electrostatic and Structural Bases of Fe2+ Translocation through Ferritin Channels
2016 Chandramouli, Balasubramanian; Bernacchioni, Caterina; DI MAIO, Danilo; Turano, Paola; Brancato, Giuseppe
Chapter 9. First Principles Methods in Biology: From Continuum Models to Hybrid Ab initio Quantum Mechanics/Molecular Mechanics
2016 Dreyer, Jens; Brancato, Giuseppe; Ippoliti, Emiliano; Genna, Vito; De Vivo, Marco; Carloni, Paolo; Rothlisberger, Ursula
Chain length, temperature and solvent effects on the structural properties of α-aminoisobutyric acid homooligopeptides
2016 Grubisic, Sonja; Chandramouli, Balasubramanian; Barone, Vincenzo; Brancato, Giuseppe
Introducing an artificial photo-switch into a biological pore: A model study of an engineered α-hemolysin
2016 Chandramouli, Balasubramanian; Di Maio, Danilo; Mancini, Giordano; Brancato, Giuseppe
Highly selective vapochromic fluorescence of polycarbonate films Doped with an ICT-Based solvatochromic probe
2017 Ahmad, Muzaffer; Platonova, Irina; Battisti, Antonella; Minei, Pierpaolo; Brancato, Giuseppe; Pucci, Andrea
Understanding the role of dynamics in the iron sulfur cluster molecular machine
2017 DI MAIO, Danilo; Chandramouli, Balasubramanian; Yan, Robert; Brancato, Giuseppe; Pastore, Annalisa
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations
2017 Macchiagodena, Marina; Del Frate, Gianluca; Brancato, Giuseppe; Chandramouli, Balasubramanian; Mancini, Giordano; Barone, Vincenzo
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