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Volumn 126, Issue 5, 2004, Pages 1369-1376

Dynamics of an Enzymatic Substitution Reaction in Haloalkane Dehalogenase

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS; SOLUTIONS; SOLVENTS; SUBSTITUTION REACTIONS; WATER;

EID: 1042288181     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja039093l     Document Type: Article
Times cited : (61)

References (93)
  • 8
    • 0002030194 scopus 로고
    • Gandour, R. D., Schowen, R. L., Eds.; Plenum Press: New York
    • Schowen, R. L. In Transition States of Biochemical Processes; Gandour, R. D., Schowen, R. L., Eds.; Plenum Press: New York. 1978; pp 77-114.
    • (1978) Transition States of Biochemical Processes , pp. 77-114
    • Schowen, R.L.1
  • 42
    • 84962367344 scopus 로고
    • Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York
    • Gao, J. In Reviews in Compututational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York, 1995; Vol. 7, pp 119-185.
    • (1995) Reviews in Compututational Chemistry , vol.7 , pp. 119-185
    • Gao, J.1
  • 89
    • 1042305504 scopus 로고    scopus 로고
    • note
    • An anonymous referee points out a scenario, with which we fully agree, that the absence of a difference in transmission coefficient will not necessarily indicate that there is no dynamic effect: One can construct models in which degrees of freedom couple to the reaction coordinate and modulate barriers. When these degrees of freedom are turned on and off, there will be no indication in the transmission coefficient, but they strongly affect the rate in classical TST. See also ref 43.


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