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

M.A.J. Veld, L. Fransson, A.R.A. Palmans, E.W. Meijer, K. Hult

Research output: Contribution to journalArticleAcademicpeer-review

33 Citations (Scopus)

Abstract

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.
Original languageEnglish
Pages (from-to)1330-1334
JournalChemBioChem
Volume10
Issue number8
DOIs
Publication statusPublished - 2009

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