108 citations · 162 across the 16 of their papers we have counts for
4 papers · 1 filter
Estimation of microscopic averages from metadynamics
Guido Tiana
With the help of metadynamics it is possible to calculate efficiently the free energy of systems displaying high energy barriers as a function of few selected "collective variables…
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…
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…
Oscillations and temporal signalling in cells
G. Tiana, S. Krishna, S. Pigolotti +2
The development of new techniques to quantitatively measure gene expression in cells has shed light on a number of systems that display oscillations in protein concentration. Here…