44 citations · 45 across the 7 of their papers we have counts for
3 papers · 1 filter
Study of the Villin Headpiece folding dynamics by combining coarse-grained Monte Carlo evolution and all-atom Molecular Dynamics
Giacomo M. S. De Mori, Giorgio Colombo, Cristian Micheletti
The folding mechanism of the Villin headpiece (HP36) is studied by means of a novel approach which entails an initial coarse-grained Monte Carlo (MC) scheme followed by all-atom mo…
Optimal shapes of compact strings
Amos Maritan, Cristian Micheletti, Antonio Trovato +1
Optimal geometrical arrangements, such as the stacking of atoms, are of relevance in diverse disciplines. A classic problem is the determination of the optimal arrangement of spher…
Determination of optimal effective interactions between amino acids in globular proteins
Giovanni Settanni, Cristian Micheletti, Jayanth Banavar +1
An optimization technique is used to determine the pairwise interactions between amino acids in globular proteins. A numerical strategy is applied to a set of proteins for maximizi…