Folding in a semi-flexible lattice model for Crambin
Using the Replica-Exchange Wang-Landau sampling method, we investigated and compared three different coarse-grained lattice protein models for the small, hydrophobic protein Crambin. We show that slight extensions of the HP lattice protein model, including the stiffness of bonds can lead to a signif...
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Published in | Journal of physics. Conference series Vol. 686; no. 1; pp. 12001 - 12007 |
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Main Authors | , , , |
Format | Journal Article |
Language | English |
Published |
Bristol
IOP Publishing
01.01.2016
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Subjects | |
Online Access | Get full text |
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Summary: | Using the Replica-Exchange Wang-Landau sampling method, we investigated and compared three different coarse-grained lattice protein models for the small, hydrophobic protein Crambin. We show that slight extensions of the HP lattice protein model, including the stiffness of bonds can lead to a significant decrease in ground-state degeneracies (up to 5 orders of magnitudes). Moreover, the ground-state structures begin to bear resemblance to native structures observed in real Crambin. |
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ISSN: | 1742-6588 1742-6596 |
DOI: | 10.1088/1742-6596/686/1/012001 |