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EPL Association, European Physical Society Letters, 1(87), p. 18002, 2009

DOI: 10.1209/0295-5075/87/18002

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Saddles of the energy landscape and folding of model proteins

Journal article published in 2009 by L. Angelani, Giancarlo Ruocco ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

We numerically investigate the Potential Energy Landscape of an off-lattice beta-sheet model protein, looking at saddles and minima probed by the system during the folding process. Go-like (with native-state-dependent force field and funnel-like landscape) and non-Go-like models are considered. In the Go-like case, on varying the temperature, we observe: i) a pronounced peak at the collapse/folding temperature T(theta) similar or equal to T(f) in the energy elevation of visited saddles from underlying minima, ii) a crossover at the same point of the saddle order. Saddles-based quantities seem then to be good candidates as indicators of the funneled shape of the landscape in protein models. Copyright (C) EPLA, 2009