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.

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Alternative title Crystallography and QM/MM Simulations Identify Preferential Binding of Hydrolyzed Carbapenem and Penem Antibiotics to the L1 Metallo-beta-lactamase in the Imine Form
Creator(s) Rebecca Twidale, Adrian Mulholland
Contributor(s) Philip Hinchliffe, Jim Spencer
Publication date 11 Oct 2021
Language eng
Publisher University of Bristol
Licence Non-Commercial Government Licence for public sector information
DOI 10.5523/bris.13pu85dfaobij2rumzql5buyy2
Citation Rebecca Twidale, Adrian Mulholland (2021): Crystallography and QM/MM Simulations Identify Preferential Binding of Hydrolyzed Carbapenem and Penem Antibiotics to the L1 Metallo-beta-lactamase in the Imine Form. https://doi.org/10.5523/bris.13pu85dfaobij2rumzql5buyy2
Total size 66.8 GiB

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