Abstract
To study the structure function dynamics relationship of proteins, computer simulations of protein dynamics in all detail and at long times are helpful. Results on the dynamics of large protein-water system are presented. The structure and dynamics of water are characterized by using geometrical criteria. Furthermore, prelimenary results on Monte Carlo dynamics of a protein model suitable for long times are exhibited.
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References
G. Kolata, Science 233, 1037 (1986).
R. L. Baldwin, Nature, 346, 409 (1990).
T. E. Creighton and P. S. Kim, Eds., Current Op. Struc. Biol., 1, pp. 3 (1981).
R. E. Dickerson and J. Geis, The Structure and Action of Proteins (Harper, New York, 1969).
A. Fersht, Enzyme Structure and Mechanism (Freeman, New York, 1984).
G. E. Schulz and R. H. Schirmer, Principles of Protein Structure (Springer, Berlin, 1978).
W. G. J. Hol, Ed., Current Op. Struc. Biol. 1, pp. 875 (1991).
B. R. Brooks, R. E. Bruccoleri, B. O. Olafson, D. J. States, S. Swaminat-han, and M. Karplus, J. Comp. Chem. 4, pp. 187 (1983).
J. A. McCammon and S. C. Harvey, Dynamics of Proteins and Nucleic Acids, (Cambridge, Unipress, 1987).
W. F. Van Gunsteren, Protein Engineering, 2, 5 (1988).
M. Levitt, Ann. Rev. Biophys. Bioeng. 11, 251 (1982).
J. Skolnick and A. Kolinski, Science 250, 1121 (1980).
A. Rey and J. Skolnick, Chem. Phys. 158, 199 (1991).
E. W. Knapp and A. Irgens-Defregger, in “Supercomputer and Chemistry”, U. Harms, Ed., (Springer, Berlin, 1991).
E. W. Knapp and A. Irgens-Defregger, J. Comp. Chem. (1992) in press.
H. Frauenfelder, F. Parak, and R. D. Young, Ann. Rev. Biophys. Chem. 17(1988)451.
M. Levitt and R. Sharon, Proc. Natl. Acad. Sci. US 85(1988)7557.
G.Otting, E. Liepinsh, and K. Wüthrich, J. Am. Chem. Soc. 113(1991) 4363; Science 254(1991) 974.
J. Deisenhofer and W. Steigemann, Acta Cryst. B31(1975)238. A. Wlodawer, Y. Walter, R. Huber, and L. Sjölin, J. Mol. Biol. 180(1984)301.
I. Muegge and E. W. Knapp (1992) in press.
P. E. Rouse, J. Chem. Phys. 21, 1272 (1953).
E. W. Knapp, J. Comp. Chem. 13, 793 (1992).
E. W. Knapp and L. Nilsson, in Reaction Centers of Photosynthetic Bacteria, M. E. Michel-Beyerle, Ed. (1990)437.
W. F. van Gunsteren and H. J. C. Berendsen, Molec. Phys.34(1977)1311.
W. Kabsch, Acta Cryst. A32, 922 (1976).
P. J. Kraulis, J. Appl. Cryst. 24 (1991) 946.
N. Go and H. A. Scheraga, Macromolecules 3, (1970).
N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, E. Teller, J. Chem. Phys. 21, 1087 (1953).
P. H. Verdier, J. Chem. Phys. 45, 2118 (1966).
J. D. Honeycutt and D. Thirumalai, Proc. Natl. Acad. Sci. US 87, 3526 (1990).
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Muegge, I., Irgens-Defregger, A., Knapp, E.W. (1993). Model Calculations of Protein-Water Systems and of Long Time Dynamics of Proteins. In: Hofestädt, R., Krückeberg, F., Lengauer, T. (eds) Informatik in den Biowissenschaften. Informatik aktuell. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-78072-1_10
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DOI: https://doi.org/10.1007/978-3-642-78072-1_10
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