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Published in 2017 at "Bioorganic chemistry"
DOI: 10.1016/j.bioorg.2017.04.015
Abstract: The hydrolysis dechlorination mechanism of a chiral organochlorinepollutant, 1,2-dichloropropane (DCP), catalyzed by haloalkane dehalogenase LinB has been investigated by using a combined quantum mechanics/molecular mechanics method. LinB was confirmed to be enantioselective towards the catabolism…
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Keywords:
dichloropropane;
haloalkane dehalogenase;
dehalogenase linb;
degradation dichloropropane ... See more keywords
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Published in 2023 at "PLOS ONE"
DOI: 10.1371/journal.pone.0280776
Abstract: The haloalkane dehalogenase LinB is a well-known enzyme that contains buried active site and is used for many modelling studies. Using classical molecular dynamics simulations of enzymes and substrates, we searched for transient binding sites…
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Keywords:
transient binding;
haloalkane dehalogenase;
sites surface;
dehalogenase linb ... See more keywords