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.

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