Multiscale analysis of enantioselectivity in enzyme-catalysed ‘lethal synthesis’ using projector-based embedding
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DOI: 10.1098/rsos.171390
Abstract: The action of fluoroacetate as a broad-spectrum mammalian pesticide depends on the ‘lethal synthesis’ of fluorocitrate by citrate synthase, through a subtle enantioselective enolization of fluoroacetyl-coenzyme A. In this work, we demonstrate how a projection-based… read more here.
Keywords: enantioselectivity; multiscale analysis; lethal synthesis; based embedding ... See more keywords