Rosa Di Felice

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A classical atomistic force field to describe the interaction of proteins with gold (111) surfaces in explicit water has been devised. The force field is specifically designed to be easily usable in most common bio-oriented molecular dynamics codes, such as GROMACS and NAMD. Its parametrization is based on quantum mechanical (density functional theory [DFT](More)
Attempts to resolve the energy-level structure of single DNA molecules by scanning tunnelling spectroscopy span over the past two decades, owing to the unique ability of this technique to probe the local density of states of objects deposited on a surface. Nevertheless, success was hindered by extreme technical difficulties in stable deposition and(More)
We briefly present the results of recent experiments of transverse scanning tunneling spectroscopy of homogeneous poly(dG)-poly(dC) DNA molecules and discuss them in the light of theoretical investigation. A semiempirical theoretical model is adopted to describe the transverse tunneling current across a DNA molecule placed between a metallic gold substrate(More)
Attempts to resolve the energy-level structure of single DNA molecules by scanning tunnelling spectroscopy span over the past two decades, owing to the unique ability of this technique to probe the local density of states of objects deposited on a surface. Nevertheless, success was hindered by extreme technical difficulties in stable deposition and(More)
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