Computer simulation of phenyl ester cleavage by β-cyclodextrin in solution

Journal of the American Chemical Society

Volumn 120, Issue 24, 1998, Pages 6131-6137

  Luzhkov, Victor ^a   Åqvist, Johan ^a  

^a INSTITUTE OF PROBLEMS OF CHEMICAL PHYSICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE DERIVATIVE; BETA CYCLODEXTRIN; ESTER;

ARTICLE; CATALYSIS; COMPUTER SIMULATION; HYDROLYSIS; MOLECULAR DYNAMICS; REACTION ANALYSIS; STEREOISOMERISM;

EID: 0031799176     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja973799w     Document Type: Article

References (10)

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3. (c) Hwang, J.-K.; King, G.; Creighton, S.; Warshel, A. J. Am. Chem. Soc. 1988, 110, 5297.
4. (d).Warshel, A.; Sussman, F.; Hwang, J.-K. J. Mol. Biol. 1988, 201, 139.
5. (e) Åqvist, J.; Warshel, A. Biochemistry 1989, 28, 4680.
6. Warshel, A. Computer Modeling of Chemical Reactions in Enzymes and Solutions; John Wiley & Sons: New York, 1991.
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8. (b) Schweins, T.; Langen, R.; Warshel, A. Nature Struct. Biol. 1994, 1, 476.
9. (c) Åqvist, J.; Fothergill, M. J. Biol. Chem. 1996, 271, 10010.
10. (d) Åqvist, J. In Computational Approaches to Biochemical Reactivity; Naray-Szabo, G., Warshel, A., Eds.; Kluwer: Dordrecht, The Netherlands, 1997; pp 341-362.