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Solvent effects on the conformational transition of a model polyalanine peptide



Solvent effects on the conformational transition of a model polyalanine peptide



Protein Science 13(11): 2909-2924



We have investigated the folding of polyalanine by combining discontinuous molecular dynamics simulation with our newly developed off-lattice intermediate-resolution protein model. The thermodynamics of a system containing a single Ac-KA14K-NH2 molecule has been explored by using the replica exchange simulation method to map out the conformational transitions as a function of temperature.

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Accession: 012568928

Download citation: RISBibTeXText

PMID: 15498937

DOI: 10.1110/ps.04701304


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