Lu et al-An Active Site Loop Toggles Between Conformations to Control Antibiotic Hydrolysis and Inhibition Potency for CTX-M beta-lactamase Drug-Resistance Enzymes
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Molecular dynamics simulations trajectories for publication, "An Active Site Loop Toggles Between Conformations to Control Antibiotic Hydrolysis and Inhibition Potency for CTX-M beta-lactamase Drug-Resistance Enzymes" Shuo Lu1, Liya Hu2, Hanfeng Lin1, Allison Judge2, Paola Rivera1, Murugesan Palaniappan3, Banumathi Sankaran4, Jin Wang1, B.V. Venkataram Prasad2 and Timothy Palzkill1,2* Department of Pharmacology and Chemical Biology1, Department of Biochemistry and Molecular Biology2, Center for Drug Discovery, Department of Pathology & Immunology3, Baylor College of Medicine, Houston, TX 77030 Department of Molecular Biophysics and Integrated Bioimaging, Berkeley Center for Structural Biology, Lawrence Berkeley National Laboratory, Berkeley, California, USA4 *Corresponding author: timothyp@bcm.edu
