Navigation and analysis of the energy landscape of small proteins using the activation-relaxation technique |
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Authors: | Mousseau Normand Derreumaux P Gilbert G |
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Affiliation: | Département de Physique and Regroupement Québécois sur les Matériaux de Pointe, Université de Montréal, Case Postale 6128, Succursale Centre-Ville, Montréal, Québec, H3C 3J7, Canada. |
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Abstract: | The resolution of the protein folding problem has been tied to the development of a detailed understanding of the configurational energy or of the free energy landscape associated with these molecules. Using the activation-relaxation technique and a simplified energy model, we present here a detailed analysis of the energy landscape of 16-residue peptide that folds into a beta-hairpin. Our results support the concept of an energy landscape with an effective topology consistent with a scale-free network. |
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