Lactone size dependent reactivity in Candida antarctica lipase B: A molecular dynamics and docking study

Size matters: Lactones have extensively been studied as monomers in enzymatic polymerization reactions. Large lactones showed an unexpectedly high reactivity in these reactions. A combination of docking and molecular dynamics studies have been used to explain this high reactivity in terms of product...

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Bibliographic Details
Published in:ChemBioChem
Main Authors: Veld, M.A.J., Fransson, L., Palmans, A.R.A., Meijer, E.W., Hult, K.
Format: Article in Journal/Newspaper
Language:English
Published: 2009
Subjects:
Antarc*
Antarctica
Online Access:https://research.tue.nl/en/publications/4f972cec-bf9a-49c9-ae19-3ba5cb876b03
https://doi.org/10.1002/cbic.200900128
Description
Summary:Size matters: Lactones have extensively been studied as monomers in enzymatic polymerization reactions. Large lactones showed an unexpectedly high reactivity in these reactions. A combination of docking and molecular dynamics studies have been used to explain this high reactivity in terms of productive binding due to the transoid nature of the ester bond in these substrates.

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