1.9k citations · 1.9k across the 5 of their papers we have counts for
5 papers · 1 filter
A method for partitioning the information contained in a protein sequence between its structure and function
A. Possenti, M. Vendruscolo, C. Camilloni +1
Proteins employ the information stored in the genetic code and translated into their sequences to carry out well-defined functions in the cellular environment. The possibility to e…
An implementation of the maximum-caliber principle by replica-averaged time-resolved restrained simulations
Riccardo Capelli, Guido Tiana, Carlo Camilloni
Inferential methods can be used to integrate experimental informations and molecular simulations. The maximum entropy principle provides a framework for using equilibrium experimen…
Properties of low-dimensional collective variables in the molecular dynamics of biopolymers
R. Meloni, C. Camilloni, G. Tiana
The description of the dynamics of a complex, high-dimensional system in terms of a low-dimensional set of collective variables Y can be fruitful if the low dimensional representat…
Atomic-detailed milestones along the folding trajectory of protein G
C. Camilloni, G. Tiana, R. A. Broglia
The high computational cost of carrying out molecular dynamics simulations of even small-size proteins is a major obstacle in the study, at atomic detail and in explicit solvent, o…
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…