Università degli Studi di Cagliari
Drug design: Insights from atomistic simulations
2009-01-01 Collu, F.; Spiga, E.; Kumar, Amit; Hajjar, E.; Vargiu, ATTILIO VITTORIO; Ceccarelli, Matteo; Ruggerone, Paolo
Dissociation of minor groove binders from DNA: insights from metadynamics simulations
2008-01-01 Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo; Magistrato, Alessandra; Carloni, Paolo
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
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
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
Anthramycin-DNA binding explored by molecular simulations
2006-01-01 Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo; Magistrato, Alessandra; Carloni, Paolo
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