Dynamics of enzymatic reactions.

Abstract:

:The detailed molecular dynamics of an actual bond-breaking event in a fluctuating enzyme substrate complex is simulated. The method developed allows one to explore what type of fluctuations are involved in enzymatic reactions and to evaluate entropic contributions to enzyme catalysis. The fluctuations of the enzyme electrostatic potential are found to be a key dynamical factor in reactions that involve a large change in the polarity of the reacting bonds.

authors

Warshel A

doi

10.1073/pnas.81.2.444

subject

Has Abstract

pub_date

1984-01-01 00:00:00

pages

444-8

issue

2

eissn

0027-8424

issn

1091-6490

journal_volume

81

pub_type

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