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Adsorption vs. folding of a Hydrophobic Chain Protein Model near an Attractive Surface (1512.07054v1)
Published 22 Dec 2015 in cond-mat.soft
Abstract: The folding vs. adsorption behaviour of a coarse-grained off-lattice protein model near an attractive surface is presented within the frame of a Multicanonical Monte Carlo simulations. In the polymer-surface model, the Lennard-Jones potential is assumed as an interaction potential between the effective monomers and the attractive surface. Thermodynamic properties and some structural parameters for the minimum energy conformations are calculated for comparison of the folding and adsorption cases.