1 citations · 1 across the 6 of their papers we have counts for
16 papers
Master equation approach to the assembly of viral capsids
T. Keef, C. Micheletti, R. Twarock
The distribution of inequivalent geometries occurring during self-assembly of the major capsid protein in thermodynamic equilibrium is determined based on a master equation approac…
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…
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…
Thermodynamics of DNA packaging inside a viral capsid: the role of DNA intrinsic thickness
Davide Marenduzzo, Cristian Micheletti
We characterize the equilibrium thermodynamics of a thick polymer confined in a spherical region of space. This is used to gain insight into the DNA packaging process. The experime…
Elucidation of the disulfide folding pathway of hirudin by a topology-based approach
C. Micheletti, V. De Filippis, A. Maritan +1
A theoretical model for the folding of proteins containing disulfide bonds is introduced. The model exploits the knowledge of the native state to favour the progressive establishme…
Crucial stages of protein folding through a solvable model: predicting target sites for enzyme-inhibiting drugs
Cristian Micheletti, Fabio Cecconi, Alessandro Flammini +1
An exactly solvable model based on the topology of a protein native state is applied to identify bottlenecks and key-sites for the folding of HIV-1 Protease. The predicted sites ar…