62 citations · 279 across the 15 of their papers we have counts for
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Accurate and efficient description of protein vibrational dynamics: comparing molecular dynamics and Gaussian models
Cristian Micheletti, Paolo Carloni, Amos Maritan
Current all-atom potential based molecular dynamics (MD) allow the identification of a protein's functional motions on a wide-range of time-scales, up to few tens of ns. However, f…
Molecular Dynamics Studies on HIV-1 Protease: Drug Resistance and Folding Pathways
Fabio Cecconi, Cristian Micheletti, Paolo Carloni +1
Drug resistance to HIV-1 Protease involves accumulation of multiple mutations in the protein. Here we investigate the role of these mutations by using molecular dynamics simulation…
Protein Design is a Key Factor for Subunit-subunit Association
Cecilia Clementi, Paolo Carloni, Amos Maritan
Fundamental questions about the role of the quaternary structures are addressed using a statistical mechanics off-lattice model of a dimer protein. The model, in spite of its simpl…