MeSH headings : Acyltransferases / chemistry; Acyltransferases / genetics; Acyltransferases / metabolism; Catalytic Domain; Malonyl Coenzyme A; Molecular Dynamics Simulation; Mutagenesis; Polyketide Synthases / chemistry; Polyketide Synthases / genetics; Polyketide Synthases / metabolism; Polyketides; Protein Engineering; Secondary Metabolism; Substrate Specificity

TL;DR: Molecular dynamics simulations are used to pinpoint mutations that impact AT domain selectivity and exchange structural motifs to obtain chimeric PKS modules with expanded substrate specificity, leading to identification of two previously unexplored structural motifS. (via Semantic Scholar)