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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…