37 citations
- Università di CamerinoIT2 papers
- Institute of Molecular Science and TechnologiesIT1 paper
- National Research CouncilLK1 paper
- Politecnico di MilanoIT1 paper
- Sapienza University of RomeIT1 paper
- Scuola Internazionale Superiore di Studi AvanzatiIT1 paper
- University of CopenhagenDK1 paper
- University of MilanIT1 paper
5 papers
Unraveling the degradation mechanism in FIrpic based Blue OLEDs: II. Trap and detect molecules at the interfaces
Marta Penconi, Marco Cazzaniga, Walter Panzeri +4
The impact of organic light emitting diodes (OLEDs) in modern life is witnessed by their wide employment in full-color, energy-saving, flat panel displays and smart-screens; a brig…
Lattice Boltzmann Method for mixtures at variable Schmidt number
Michele Monteferrante, Simone Melchionna, Umberto Marini Bettolo Marconi
When simulating multicomponent mixtures via the Lattice Boltzmann Method, it is desirable to control the mutual diffusivity between species while maintaining the viscosity of the s…
Electro-osmotic flow in coated nanocapillaries: a theoretical investigation
Umberto Marini Bettolo Marconi, Michele Monteferrante, Simone Melchionna
Motivated by recent experiments, we present a theoretical investigation of how the electro-osmotic flow occurring in a capillary is modified when its charged surfaces are coated by…
A folding inhibitor of the HIV-1 Protease
R. A. Broglia, D. Provasi, F. Vasile +3
Being the HIV-1 Protease (HIV-1-PR) an essential enzyme in the viral life cycle, its inhibition can control AIDS. The folding of single domain proteins, like each of the monomers f…
Study of the Villin Headpiece folding dynamics by combining coarse-grained Monte Carlo evolution and all-atom Molecular Dynamics
Giacomo M. S. De Mori, Giorgio Colombo, Cristian Micheletti
The folding mechanism of the Villin headpiece (HP36) is studied by means of a novel approach which entails an initial coarse-grained Monte Carlo (MC) scheme followed by all-atom mo…