Rosanna Bonaccorsi

Multipole expansions of the electrostatic molecular potential

Electrostatic interaction of a solute with a continuum. Improved description of the cavity and of the surface cavity bound charge distribution.

Abstract Algorithms for a finer description of cavities in continuous media and for a more efficient selection of sampling points on the cavity surface are described. Applicatio...

Structural deformations of the DNA double helix in the first stages of DNA transcription studied with a simple model

Abstract A very simple model of DNA in biological media, consisting of electric charges related to the phosphate groups and to counterions immersed in structured media of consta...