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Comparison of the Parallel Tempering Algorithm and Multicanonical Method as Applied to Coarse-Grained Off-lattice Models for Folding Heteropolymers

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Abstract

We have performed Parallel Tempering simulations of hydrophobic-hydrophilic heteropolymers with a simple effective, coarse-grained off-lattice model with the selected monomers and compare the global energy minimums found with Parallel Tempering algorithm with the lowest energy states identified within the multicanonical algorithm.

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References

  1. Berg, B.A.: Fields Inst. Commun. 26, 1 (2000)

    Google Scholar 

  2. Berg, B.A., Çelik, T.: Phys. Rev. Lett. 69, 2292 (1992)

    Article  ADS  Google Scholar 

  3. Hansmann, U.H.E., Okamoto, Y.: Ann. Rev. Comput. Phys. 5, 129 (1999)

    Google Scholar 

  4. Mitsutake, A., Sugita, Y., Okamoto, Y.: Biopolymers (Peptide Sci.) 60, 96 (2001)

    Article  Google Scholar 

  5. Hansmann, U.H.E., Okamoto, Y.: J. Comput. Chem. 14, 1333 (1993)

    Article  Google Scholar 

  6. Hao, M.-H., Scheraga, H.A.: J. Phys. Chem. 98, 4940 (1994)

    Article  Google Scholar 

  7. Hao, M.-H., Scheraga, H.A.: J. Phys. Chem. 98, 9882 (1994)

    Article  Google Scholar 

  8. Kolinski, A., Galazka, W., Skolnick, J.: Proteins 26, 271 (1996)

    Article  Google Scholar 

  9. Trebst, S., Troyer, M., Hansmann, U.H.E.: J. Chem. Phys. 124(17), 174903 (2006)

    Article  ADS  Google Scholar 

  10. Nadler, W., Hansmann, U.H.E.: Phys. Rev. E 75(2), 026109 (2007)

    Article  ADS  Google Scholar 

  11. Bachmann, M., Arkin, H., Janke, W.: Phys. Rev. E 71, 031906 (2005)

    Article  MathSciNet  ADS  Google Scholar 

  12. Dill, K.A.: Biochemistry 24, 1501 (1985)

    Article  Google Scholar 

  13. Lau, K.F., Dill, K.A.: Macromolecules 22, 3986 (1989)

    Article  ADS  Google Scholar 

  14. Larson, R.G., Scriven, L.E., Davis, H.T.: J. Chem. Phys. 83, 2411 (1985)

    Article  ADS  Google Scholar 

  15. Chikenji, G., Kikuchi, M., Iba, Y.: Phys. Rev. Lett. 83, 1886 (1999) and references therein

    Article  ADS  Google Scholar 

  16. Hsu, H.-P., Mehra, V., Nadler, W., Grassberger, P.: J. Chem. Phys. 118, 444 (2003)

    Article  ADS  Google Scholar 

  17. Hsu, H.-P., Mehra, V., Nadler, W., Grassberger, P.: Phys. Rev. E 68, 021113 (2003)

    Article  ADS  Google Scholar 

  18. Bachmann, M., Janke, W.: Phys. Rev. Lett. 91, 208105 (2003)

    Article  ADS  Google Scholar 

  19. Bachmann, M., Janke, W.: J. Chem. Phys. 120, 6779 (2004)

    Article  ADS  Google Scholar 

  20. Stillinger, F.H., Head-Gordon, T., Hirshfeld, C.L.: Phys. Rev. E 48, 1469 (1993)

    Article  ADS  Google Scholar 

  21. Stillinger, F.H., Head-Gordon, T.: Phys. Rev. E 52, 2872 (1995)

    Article  ADS  Google Scholar 

  22. Irbäck, A., Peterson, C., Potthast, F., Sommelius, O.: J. Chem. Phys. 107, 273 (1997)

    Article  ADS  Google Scholar 

  23. Irbäck, A., Peterson, C., Potthast, F.: Phys. Rev. E 55, 860 (1997)

    Article  ADS  Google Scholar 

  24. Aktürk, E., Arkin, H., Çelik, T.: Int. J. Mod. Phys. C 18(1), 99 (2007)

    Article  MATH  ADS  Google Scholar 

  25. Trebst, S., Troyer, M., Hansmann, U.H.E.: J. Chem. Phys. 124, 174903 (2006)

    Article  ADS  Google Scholar 

  26. Liang, F.: J. Chem. Phys. 120, 6756 (2004)

    Article  ADS  Google Scholar 

  27. Hansmann, U.H.E., Masuya, M., Okamoto, Y.: Proc. Natl. Acad. Sci. USA 94, 10652 (1997)

    Article  ADS  Google Scholar 

  28. Berg, B.A., Noguchi, H., Okamoto, Y.: Phys. Rev. E 68, 036126 (2003)

    Article  ADS  Google Scholar 

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Correspondence to Handan Arkin.

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Arkin, H. Comparison of the Parallel Tempering Algorithm and Multicanonical Method as Applied to Coarse-Grained Off-lattice Models for Folding Heteropolymers. J Stat Phys 139, 326–332 (2010). https://doi.org/10.1007/s10955-010-9942-7

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  • DOI: https://doi.org/10.1007/s10955-010-9942-7

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