Calculation of protein conformation as an assembly of stable overlapping segments: Application to bovine pancreatic trypsin inhibitor

Proceedings of the National Academy of Sciences of the United States of America

Volumn 88, Issue 9, 1991, Pages 3661-3665

  Simon, Istvan ^a,b   Glasser, Leslie ^a,c   Scheraga, Harold A ^a  

^a Department of Obstetrics Gynecology   (United States)

^b INSTITUTE OF ENZYMOLOGY   (Hungary)

^c UNIVERSITY OF THE WITWATERSRAND   (South Africa)

Author keywords

"Conformon"; Build up procedure; Conformational energy calculations; Short range interactions

Indexed keywords

BOVINAE; BOS TAURUS;

TRYPSIN INHIBITOR;

ARTICLE; CATTLE; NONHUMAN; PRIORITY JOURNAL; PROTEIN CONFORMATION;

AMINO ACID SEQUENCE; ANIMAL; CATTLE; DISULFIDES; MOLECULAR SEQUENCE DATA; PANCREAS; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; SUPPORT, NON-U.S. GOV'T; SUPPORT, U.S. GOV'T, P.H.S.; THERMODYNAMICS; TRYPSIN INHIBITORS;

EID: 0025780445     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.88.9.3661     Document Type: Article

References (30)

1. Scheraga, H. A. (1989) Chem. Scr. 29A, 3-13.
2. Levinthal, C. (1968) J. Chim. Phys. Phys.-Chim. Biol. 65, 44-45.
3. Simon, I. (1985) J. Theor. Biol. 113, 703-710.
4. Scheraga, H. A. (1973) Pure Appl. Chem. 36, 1-8.
5. Scheraga, H. A. (1983) Biopolymers 22, 1-14.
6. Simon, I., Némethy, G. & Scheraga, H. A. (1978) Macromolecules 11, 797-804.
7. Vásquez, M. & Scheraga, H. A. (1988) J. Biomol. Struct. Dyn. 5, 705-755.
8. Vásquez, M. & Scheraga, H. A. (1988) J. Biomol. Struct. Dyn. 5, 757-784.
9. Momany, F. A., McGuire, R. F., Burgess, A. W. & Scheraga, H. A. (1975) J. Phys. Chem. 79, 2361-2381.
10. Némethy, G., Pottle, M. S. & Scheraga, H. A. (1983) J. Phys. Chem. 87, 1883-1887.
11. Sippl, M. J., Némethy, G. & Scheraga, H. A. (1984) J. Phys. Chem. 88, 6231-6233.
12. Gay, D. M. (1983) ACM Trans. Math. Software 9, 503- 524.
13. Vila, J., Williams, R. L., Vásquez, M. & Scheraga, H. A. (1990) Proteins Struct. Funct. Genet., in press.
14. Chothia, C. (1974) Nature (London) 248, 338-339.
15. Zimmerman, S. S., Pottle, M. S., Némethy, G. & Scheraga, H. A. (1977) Macromolecules 10, 1-9.
16. Vásquez, M., Némethy, G. & Scheraga, H. A. (1983) Macromolecules 16, 1043-1049.
17. Vonderviszt, F., Matrai, G. & Simon, I. (1986) Int. J. Pept. Protein Res. 27, 483-492.
18. Vonderviszt, F. & Simon, I. (1986) Biochem. Biophys. Res. Commun. 139, 11-17.
19. Tüdös, E., Cserzö M. & Simon, I. (1990) Int. J. Pept. Protein Res. 36, 236-239.
20. Cserzö & Simon, I. (1989) Int. J. Pept. Protein Res. 34, 184-195.
21. Pincus, M. R., Klausner, R. D. & Scheraga, H. A. (1982) Proc. Natl. Acad. Sci. USA 79, 5107-5110.
22. Wlodawer, A., Deisenhofer, J. & Huber, R. (1987) J. Mol. Biol. 193, 145-156.
23. Bernstein, F. C., Koetzle, T. F., Williams, G. J. B., Meyer, E. F., Jr., Brice, M. D., Rodgers, J. R., Kennard, O., Shimanouchi, T. & Tasumi, M. (1977) J. Mol. Biol. 112, 535- 542.
24. Abola, E. E., Bernstein, F. C., Bryant, S. H., Koetzle, T. F. & Weng, J. (1987) in Crystallographic Databases: Information Content, Software Systems, Scientific Applications, eds. Allen, F. H., Bergerhoff, G. & Sievers, R. (Data Commission of the Int. Union of Crystallography, Bonn), pp. 107-132.
25. Rackovsky, S. & Scheraga, H. A. (1980) Macromolecules 13, 1440-1453.
26. Burgess, A. W. & Scheraga, H. A. (1975) Proc. Natl. Acad. Sci. USA 72, 1221-1225.
27. Matheson, R. R. & Scheraga, H. A. (1978) Macromolecules 11, 819-829.
28. Scheraga, H. A. (1980) in Protein Folding, ed. Jaenicke, R. (Elsevier, Amsterdam), pp. 261-288.
29. Montelione, G. T. & Scheraga, H. A. (1989) Acc. Chem. Res. 22, 70-76.
30. Chan, H. S. & Dill, K. A. (1991) Annu. Rev. Biophys. Biophys. Chem. 20, 447-490.