Side-chain and backbone ordering in homopolymers

Journal of Physical Chemistry B

Volumn 111, Issue 16, 2007, Pages 4244-4250

  Wei, Yanjie ^a   Nadler, Walter ^a   Hansmann, Ulrich H E ^a,b  

^a MICHIGAN TECHNOLOGICAL UNIVERSITY   (United States)

^b FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

HOMOPOLYMERIZATION; HYDROGEN BONDS; PHASE TRANSITIONS; SOLVENTS; TEMPERATURE DISTRIBUTION;

HELIX-COIL TRANSITION TEMPERATURE; MULTICANONICAL SIMULATIONS;

PROTEINS;

EID: 34248357408     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp071127e     Document Type: Article

References (34)

1. Onuchic, J. N.; Luhey-Schulten, Z.; Wolynes, P. G. Annu. Rev. Phys. Chem. 1997, 48, 545-600.
2. Aleksenko, V.; Kwak, W.; Hansmann, U. H. E. Physica A 2005, 350, 28-37.
3. Shimada, J.; Kussell, E. L.; Shakhnovich, E. I. J. Mol. Biol. 2001, 308, 79-95. Note, however, that their potential is not based on physical interactions.
4. Hansmann, U. H. E.; Okamoto, Y. In Annual Reviews in Computational Physics VI; Stauffer, D., Ed.; World Scientific: Singapore, 1999; pp 129-157.
5. Geyer, C. J.; Thompson, A. J. Am. Stat. Assoc. 1995, 90, 909-920.
6. Hukushima, K.; Nemoto, K. J. Phys. Soc. (Jpn.) 1996, 65, 1604-1608.
7. Hansmann, U. H. E. Chem. Phys. Lett. 1997, 281, 140-150.
8. Berg, B. A.; Neuhaus, T. Phys. Lett. B 1991, 267, 249-253.
9. Berg, B. A.; Celik, T. Phys. Rev. Lett. 1992, 69, 2292-2295.
10. Kwak, W.; Hansmann, U. H. E. Phys. Rev. Lett. 2005, 95, 138102.
11. Hansmann, U. H. E.; Okamoto, Y. J. Comput. Chem. 1993, 14, 1333-1338.
12. Wei, Y.; Nadler, W.; Hansmann, U. H. E. J. Chem. Phys. 2006, 125, 164902.
13. Scott, R. A.; Scheraga, H. A. J. Chem. Phys. 1966, 45, 2091-2101.
14. Ooi, T.; Scott, R. A.; Vanderkooi, G.; Scheraga, H. A. J. Chem. Phys. 1967, 46, 4410-4426.
15. Yan, J. F.; Vanderkooi, G.; Scheraga, H. A. J. Chem. Phys. 1968, 49, 2713-2726.
16. Yan, J. F.; Momany, F. A.; Scheraga, H. A. J. Phys. Chem. 1970, 92, 1109-1115.
17. Sippl, M. J.; Némethy, G.; Scheraga, H. A. J. Phys. Chem. 1984, 88, 6231-6233, and references therein.
18. Eisenmenger, F.; Hansmann, U. H. E.; Hayryan, Sh.; Hu, C.-K. Comput. Phys. Commun. 2001, 138, 192-212.
19. Eisenmenger, F.; Hansmann, U. H. E.; Hayryan, Sh.; Hu, C.-K. Comput. Phys. Commun. 2006, 174, 422-429.
20. Ooi, T.; Obatake, M.; Nemethy, G.; Scheraga, H. A. Proc. Natl. Acad. Sci. U.S.A. 1987, 8, 3086-3090.
21. Hansmann, U. H. E. J. Chem. Phys. 2004, 120, 417-422.
22. Trebst, S.; Troyer, M.; Hansmann, U. H. E. J. Chem. Phys. 2006, 124, 174903.
23. Ferrenberg, A. M.; Swendsen, R. H. Phys. Rev. Lett. 1988, 61, 2635-2638;
24. Phys. Rev. Lett. 1989, 63, 1658(E), and references given in the erratum.
25. We note that this criterion was sufficient in ref 12 to distinguish between side-chain and backbone hydrogen bonds. We will see that this is not the case here.
26. McCoy, B. M.; Tsun Wu, Tai The Two-Dimensional Ising Model; Harvard University Press: Cambridge, MA, 1973.
27. Okamoto, Y.; Hansmann, U. H. E. J. Phys. Chem. 1995, 99, 11276-11287.
28. Hartings, M. R.; Kinnear, B. S.; Jarrold, M. F. J. Am. Chem. Soc. 2003, 125, 3941-3947.
29. Kohtani, M.; Jones, T. C.; Schneider, J. E.; Jarrold, M. F. J. Am. Chem. Soc. 2004, 126, 7420-7421.
30. Hansmann, U. H. E.; Okamoto, Y. J. Chem. Phys. 1999, 110, 1267.
31. Peng, Y.; Hansmann, U. H. E.; Alves, N. A. J. Chem. Phys. 2003, 118, 2374-2380.
32. Lin, C.-Y.; Hu, C-K.; Hansmann, U. H. E. Proteins 2003, 52, 436-445.
33. Hansmann, U. H. E. J. Chem. Phys. 2004, 120, 417-422.
34. http://pymol.sourceforge.net/.