Classical and quantum conformational analysis using generalized genetic algorithm

Physica A: Statistical Mechanics and its Applications

Volumn 363, Issue 2, 2006, Pages 260-268

  Moret, M A ^a,b   Pascutti, P G ^c   Bisch, P M ^c   Mundim, M S P ^d   Mundim, K C ^d  

^a Fundacao Visconde de Cairu   (Brazil)

^b DEPARTAMENTO DE CIÊNCIAS BIOLÓGICAS   (Brazil)

^c FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^d UNIVERSITY OF BRASILIA   (Brazil)

Author keywords

Classical molecular optimization; GROMOS; MNDO AM1; MNDO PM3; Quantum molecular optimization; Tsallis statistics

Indexed keywords

GENETIC ALGORITHMS; MOLECULAR DYNAMICS; OPTIMIZATION; POLYPEPTIDES;

CLASSICAL MOLECULAR OPTIMIZATION; GROMOS; MNDO-AM1; MNDO-PM3; QUANTUM MOLECULAR OPTIMIZATION; TSALLIS STATISTICS;

QUANTUM THEORY;

EID: 33644871763     PISSN: 03784371     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physa.2005.08.062     Document Type: Article

References (38)

1. J.M. Yon Cell. Mol. Life Sci. 53 1997 557
2. P.G. Wolynes, J.N. Onuchic, and D. Thirumalai Science 267 1995 1619
3. K.A. Dill Biochem. 29 1990 7133
4. E.I. Shackhnovich Phys. Rev. Lett. 72 1994 3907
5. M.A. Moret, P.G. Pascutti, K.C. Mundim, P.M. Bisch, and E. Nogueira Jr. Phys. Rev. E 63 2001 20901
6. M.A. Moret, P.G. Pascutti, P.M. Bisch, and K.C. Mundim J. Comp. Chem. 19 1998 647
7. E.P.G. Arêas, P.G. Pascutti, S. Schreier, K.C. Mundim, and P.M. Bisch Braz. Med. Biol. Res. 99 1994 527
8. E.P.G. Arêas, P.G. Pascutti, S. Schreier, K.C. Mundim, and P.M. Bisch J. Phys. Chem. 99 1995 14882
9. W.F. van Gusteren, P.M. King, and A.E. Mark Q. Rev. Biophys. 27 1994 435
10. J.P. Doye, and D.J. Wales J. Chem. Phys. 105 1996 8428
11. J.P. Doye, and D.J. Wales J. Chem. Phys. A 101 1997 5111
12. P.G. Pascutti, K.C. Mundim, A.S. Ito, and P.M. Bisch J. Comp. Chem. 20 1999 971
13. J. Holland Adaption in Natural and Artificial Systems 1975 University of Michigan Press Ann
14. D.A. Goldberg Genetic Algorithm in Search, Optimization, and Machine Learning 1989 Addison-Wesley Reading
15. S. Kirkpatrick, C.D. Gelatt, and M.P. Vecchi Science 220 1983 671
16. M.A. Moret, P.M. Bisch, and F.M.C. Vieira Phys. Rev. E 57 1998 R2535
17. C. Tsallis J. Stat. Phys. 52 1988 479
18. E.M.F. Curado, and C. Tsallis J. Phys. A 24 1991 L69
19. E.M.F. Curado, and C. Tsallis Corrigenda: J. Phys. A 24 1991 3187
20. E.M.F. Curado, and C. Tsallis J. Phys. A 25 1992 1019
21. C. Tsallis Phys. Lett. A 206 1995 277
22. C. Tsallis Braz. J. Phys. 29 1999 1
23. C. Tsallis, and D.A. Stariolo Physica A 233 1996 395
24. S.R. Wilson, W. Cui, J.W. Moskovitz, and K.E. Schmidt J. Comp. Chem. 12 1991 342
25. V. Keshari, and Y. Ishikawa Chem. Phys. Lett. 18 1994 496
26. M.A. Moret, P.M. Bisch, K.C. Mundim, and P.G. Pascutti Biophys. J 82 2002 1123
27. T. Dandekar, and P. Argos J. Mol. Biol. 236 1994 844
28. N. Metropolis, A.W. Rosenbluth, M.N. Rosenbluth, A.H. Teller, and E.J. Teller J. Chem. Phys. 21 1953 1087
29. W.F. van Gusteren, H.J.C. Berendsen, Groningen Molecular Simulation (GROMOS) Library Manual (BIOMOS b. v., Nijenborg 4, 9747 AG Groningen), 1987.
30. R.B. Corey, and L. Pauling Proc. R. Soc. 141 1953 10
31. D.J. Wales, and H.A. Scheraga Science 285 1999 1368
32. P.G. Pascutti, Ph.D. Thesis, USP, Brazil, 1997.
33. J.J.P. Stewart J. Comput. Chem. 10 1989 209
34. J.J.P. Stewart J. Comput. Aid. Mol. Des. 4 1990 1
35. M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, and J.J.P. Stewart J. Am. Chem. Soc. 107 1985 3902
36. K.C. Mundim, and C. Tsallis Int. J. Quantum Chem. 58 1996 373
37. D. Voet, and J.G. Voet Biochemistry 1994 Wiley New York
38. C. Branden, and J. Tooze Introduction to Protein Structure 1991 Garland Publishing New York