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The structure of the free energy surface of coarse-grained off-lattice protein models

E. Akturk·H. Arkin Olgar·T. Celik
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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.

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E. Akturk, H. Arkin Olgar, T. Celik. 2007-03-23. The structure of the free energy surface of coarse-grained off-lattice protein models. https://doi.org/10.1142/s0129183107010309

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