Abstract
The preferred conformations of the tripeptide glutathione have been investigated by performing quantum mechanical calculations using the PCILO method. A series of model compounds representing fragments of the tripeptide has been studied as well as the complete molecule. The results are compared with the available experimental data.
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Meister, A., Tate, S.: Ann. Rev. Biochemistry 45, 560 (1976)
Metzler, D. E.: “Biochemistry” 421. New York: Academic Press 1977
Ciba Foundation Symposium 67 (new series): Submolecular biology and cancer. Amsterdam: Excerpta Medica 1979
Diner, S., Malrieu, J. P., Claverie, P.: Theoret. Chim. Acta (Berl.) 13, 1–45, (1969); 15, 100–110 (1969)
Pullman, B., Pullman, A.: Advan. Protein Res. 16, 387 (1974)
Pullman, B., in: Quantum mechanics of molecular conformations, Pullman, B. Ed. New York: Wiley Interscience 1976
IUPAC-1B Commission of Biochemical Nomenclature: J. Mol. Biol. 52, 1 (1970)
Pullman, B., Maigret, B. in: Conformation of Biological Molecules and Polymers 13, Bergman and Pullman, Eds. New York: Academic Press 1973
Scheraga, H. A.: Adv. in Phys. Org. Chem. 6, 103 (1968)
Pople, S. A., Gordon, M.: J. Am. Chem. Soc. 89, 4253 (1967)
Pullman, A.: unpublished work
Pullman, B., Maigret, B.: Theoret. Chim. Acta (Berl.) 35, 113 (1974)
Thomson, C., Laurence, P.: manuscript in preparation
Palla, P., Petrongolo, K., Tomasi, J.: to be published, J. Phys. Chem., Feb 7, 1980
Perahia, D., Pullman, B., Claverie, P.: Intern. J. Quantum Chem. 6, 337 (1972)
Wright, W. B.: Acta Cryst. 11, 632 (1958)
Cole, F. E.: Am. Cryst. Assoc. Summer Meeting 1970, 34
Zenin, S. V., Chuprina, G. I., Krylova, A. Yu.: Zh. Obshchci Khimii, 45, 1337 (1975)
Fujiwara, S., Formicita-Kozlowsita, G., Kozlowski, H.: Bull. Chem. Soc. Japan, 50, 3131 (1977)
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Laurence, P.R., Thomson, C. A theoretical investigation of the preferred conformations of glutathione and its constituent amino acid residues. Theoret. Chim. Acta 57, 25–41 (1980). https://doi.org/10.1007/BF00547994
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DOI: https://doi.org/10.1007/BF00547994