Schmidt, Rebecca; Gready, Jill
L-lactate dehydrogenase (LDH) catalyses the interconversion of pyruvate and L-lactate in the presence of the coenzyme NADH. Molecular dynamics (MD) simulations have been performed for LDH complexed with NADH and the pyruvate-analogue inhibitor oxamate with the aim of characterising important influences on maintaining the geometry and hydrogen bond network of the active site. Two features in particular were found to dominate. First, the tetrameric protein environment is found to play a...[Show more]
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