A bias-exchange approach to protein folding

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A bias-exchange approach to protein folding

By suitably extending a recent approach [G. Bussi et al, J Am Chem Soc 2006, 128, 13435] we introduce a powerful methodology that allows the parallel reconstruction of the free energy of a system in a virtually unlimited number of variables. Multiple metadynamics simulations of the same system at th...

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Bibliographic Details
Main Authors:	Piana, Stefano, Laio, A.
Format:	Journal Article
Published:	American Chemical Society 2007
Subjects:	Trp-cage protein folding molecular dynamics simulation free energy replica exchange Metadynamics
Online Access:	http://pubs.acs.org/cgi-bin/article.cgi/jpcbfk/2007/111/i17/pdf/jp067873l.pdf http://hdl.handle.net/20.500.11937/15651

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