1 citations · 1 across the 1 of their papers we have counts for
3 papers
cond-mat.stat-mech2007
Metadynamic sampling of the free energy landscapes of proteins coupled with a Monte Carlo algorithm
F. Marini, C. Camilloni, D. Provasi +2
Metadynamics is a powerful computational tool to obtain the free energy landscape of complex systems. The Monte Carlo algorithm has proven useful to calculate thermodynamic quantit…
q-bio.BM2007
Exploring the Protein G Helix Free Energy Surface by Solute Tempering Metadynamics
C. Camilloni, D. Provasi, G. Tiana +1
The free-energy landscape of the alpha-helix of protein G is studied by means of metadynamics coupled with a solute tempering algorithm. Metadynamics allows to overcome large energ…
q-bio.BM2005★ 1 cited
Design of HIV-1-PR inhibitors which do not create resistance: blocking the folding of single monomers
R. A. Broglia, G. Tiana, L. Sutto +2
One of the main problems of drug design is that of optimizing the drug--target interaction. In the case in which the target is a viral protein displaying a high mutation rate, a se…