THE STRUCTURE OF THE FREE ENERGY SURFACE OF COARSE-GRAINED OFF-LATTICE PROTEIN MODELS

Ethem Aktürk, Handan Arkin () and Tarik Çeli̇k
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Ethem Aktürk: Hacettepe University, Department of Physics Engineering Beytepe, Ankara, Turkey
Handan Arkin: Hacettepe University, Department of Physics Engineering Beytepe, Ankara, Turkey
Tarik Çeli̇k: Turkish Academy of Sciences, Piyade Sok. No. 27, Çankaya, Ankara, Turkey

International Journal of Modern Physics C (IJMPC), 2007, vol. 18, issue 01, 99-106

Abstract: We have performed multicanonical simulations of hydrophobic-hydrophilic heteropolymers with a simple effective, coarse-grained off-lattice model to study the structure and the topology of the energy surface. The multicanonical method samples the whole rugged energy landscape, in particular the low-energy part, and enables one to better understand the critical behaviors and visualize the folding pathways of the considered protein model.

Keywords: Off-lattice protein models; conformational sampling; multicanonical simulation; 05.10.-a; 87.15.Aa; 87.15.Cc (search for similar items in EconPapers)
Date: 2007
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DOI: 10.1142/S0129183107010309

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