University of Cagliari
Water-Chloride and Water-Bromide Hydrogen-Bonded Networks: Influence of the Nature of the Halide Ions on the Stability of the Supramolecular Assemblies
2009-01-01 Dey, Biswajit; Choudhury Somnath, Ray; Gamez, Patrick; Vargiu, ATTILIO VITTORIO; Robertazzi, Arturo; Chen Chih, Yuan; Lee Hon, Man; Jana Atish, Dipankar; Mukhopadhyay, Subrata
The hydrolysis mechanism of the anticancer ruthenium drugs NAMI-A and ICR investigated by DFT-PCM calculations
2008-01-01 Vargiu, ATTILIO VITTORIO; Robertazzi, Arturo; Magistrato, Alessandra; Ruggerone, Paolo; Carloni, Paolo
Dissociation of minor groove binders from DNA: insights from metadynamics simulations
2008-01-01 Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo; Magistrato, Alessandra; Carloni, Paolo
Sliding of alkylating anticancer drugs along the minor groove of DNA: new insights on sequenze selectivity
2008-01-01 Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo; Magistrato, A; Carloni, P.
Understanding anticancer Drug-DNA interactions via molecular dynamics simulations
2007-01-01 Ruggerone, Paolo; Carloni, P; Magistrato, A; Vargiu, ATTILIO VITTORIO
Anthramycin-DNA binding explored by molecular simulations
2006-01-01 Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo; Magistrato, Alessandra; Carloni, Paolo
Molecular dynamics simulations of outer-membrane protease T from E-coli based on a hybrid coarse-grained/atomistic potential
2006-01-01 Neri, Marilisa; Anselmi, Claudio; Carnevale, Vincenzo; Vargiu, ATTILIO VITTORIO; Carloni, Paolo
Icon legend
- files available
- files available on intranet
- files available for authorized users
- files available for administrators
- files under embargo
- no files available