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Crystallography and QM/MM Simulations Identify Preferential Binding of Hydrolyzed Carbapenem and Penem Antibiotics to the L1 Metallo-β-Lactamase in the Imine Form

Rebecca M. Twidale, Philip Hinchliffe, James Spencer, Adrian J. Mulholland. Crystallography and QM/MM Simulations Identify Preferential Binding of Hydrolyzed Carbapenem and Penem Antibiotics to the L1 Metallo-β-Lactamase in the Imine Form. Journal of Chemical Information and Computer Sciences, 61(12):5988-5999, 2021. [doi]

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