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By Arieh Warshel

This sensible reference explores laptop modeling of enzyme reations--techniques that support chemists, biochemists and pharmaceutical researchers comprehend drug and enzyme motion.

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Extra resources for Computer modeling of chemical reactions in enzymes and solutions

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J. Sci. Technol. Sect. 33, 50(1951). P. Schwartz and H. E. Carter, Proc. Natl. Acad. Sci. A. 40,499 (1954). R. Bernstein, and S. G. Cohen, J. Am. Chem. 78,5091 (1956). Y. Tsuda and L. Marion, Can. J. Chem. 41,1919 (1963). R. S. Cahn, C. K. Ingold, and V. Prelog, Angew. , Int. Ed. Engl. 5, 385 (1966). A. J. Irvin and J. B. Jones, J. Am. Chem. 99,556 (1977). J. L. Fakey, B. C. Lange, J. M. Van der Veen, G. R. Young, and A. K. Bose, J . C . S. Perkin I, 1 I 17 (1977). 34 78AAC414 78CC1067 78HCA2851 78JA6491 78TL371 79CL1437 79JOC2880 79TL433 79TL2607 8OCL159 80JOC4776 80TL841 80TL4931 81AG(E)1046 81CC286 81CL463 81H( 15)1037 81H(16)915 81JA2127 81JA3580 81JOC479 81JOC1954 81PAC1109 8 1T4391 82H537 82JA2079 82JA4659 82JA6138 82T2659 82TL201 82TL205 83CL297 EIICHI FUJITA AND YOSHIMITSU NAGAO [Refs.

I- p A l - I /A1 * & HI O m On -Al- I l Compound lOOa (99% optically pure) proved to be ( -)-trachelanthamidine by comparison of its physical data with those of the naturally occurring compound (63CJC1919; 84JOC1682). Since compound lood was determined to be ( -)-epilupinine in a similar manner, naturally occurring ( + )-epilupinine (ent-100d) (SlNZJ(B)SO; 84JOC1682) was also synthesized according to the simple procedure shown in Scheme 19. New empirical conclusions for the reductive cyclization toward the N-atom-containing bicyclic compounds may be presented based on the results shown in Table IV.

Lsoindole Derivatives . . . . . . . . . . B. Furan Derivatives . . . . . . . . . . 1. Tricyclic Systems . . . . . . . . . . 2. Tetracyclic Systems . . . . . . . . . . 3. Pentacyclic and Higher Systems . . . . . . . 4. Isobenzofuran Derivatives . . . . . . . . C . Thiophene Derivatives . . . . . . . . . . IV . Quinones with a Condensed Five-Membered Ring with Two Heteroatoms . A. Pyrazole Derivatives . . . . . . . .

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