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



MD trajectories, topologies, parameters and input files for the data presented in the paper Twidale et al. J Chem. Inf. Model. 2021.
Date made available6 Oct 2021
PublisherUniversity of Bristol

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