Metadynamic sampling of the free energy landscapes of proteins coupled with a Monte Carlo algorithm

Simple item page
dc.creatorMarini, F.
dc.creatorCamilloni, C.
dc.creatorProvasi, D.
dc.creatorBroglia, R. A.
dc.creatorTiana, G.
dc.date2007-10-03
dc.date.accessioned2026-07-07T08:33:44Z
dc.date.available2026-07-07T08:33:44Z
dc.descriptionMetadynamics is a powerful computational tool to obtain the free energy landscape of complex systems. The Monte Carlo algorithm has proven useful to calculate thermodynamic quantities associated with simplified models of proteins, and thus to gain an ever-increasing understanding on the general principles underlying the mechanism of protein folding. We show that it is possible to couple metadynamics and Monte Carlo algorithms to obtain the free energy of model proteins in a way which is computationally very economical.
dc.descriptionSubmitted to Gene
dc.identifierhttps://arxiv.org/abs/0710.0782
dc.identifierhttp://arxiv.org/abs/0710.0782
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/139234
dc.subjectStatistical Mechanics
dc.subjectBiomolecules
dc.titleMetadynamic sampling of the free energy landscapes of proteins coupled with a Monte Carlo algorithm
dc.typetext

Files

Collections

arXiv