Volume 87, Number 1, July 2009
|Number of page(s)||5|
|Section||Interdisciplinary Physics and Related Areas of Science and Technology|
|Published online||17 July 2009|
Saddles of the energy landscape and folding of model proteins
Research center SMC INFM-CNR, c/o Università di Roma “Sapienza” - I-00185, Roma, Italy, EU
2 Research center Soft INFM-CNR, c/o Università di Roma “Sapienza” - I-00185, Roma, Italy, EU
3 Dipartimento di Fisica, Università di Roma “Sapienza” - I-00185, Roma, Italy, EU
Corresponding author: email@example.com
Accepted: 15 June 2009
We numerically investigate the Potential Energy Landscape of an off-lattice -sheet model protein, looking at saddles and minima probed by the system during the folding process. - like (with native-state-dependent force field and funnel-like landscape) and non--like models are considered. In the -like case, on varying the temperature, we observe: i) a pronounced peak at the collapse/folding temperature 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.
PACS: 87.15.Cc – Folding: thermodynamics, statistical mechanics, models, and pathways / 05.10.-a – Computational methods in statistical physics and nonlinear dynamics / 87.15.A- – Theory, modeling, and computer simulation
© EPLA, 2009
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