Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography. - Pharit Kamsri; Chayanin Hanwarinroj; Naruedon Phusi; Thimpika Pornprom; Kampanart Chayajarus; Auradee Punkvang; Nitima Suttipanta; Potjanee Srimanote; Khomson Suttisintong; Chomphunuch Songsiriritthigul; Patchreenart Saparpakorn; Supa Hannongbua; et al. (J. Chem. Inf. Model., 2020)

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 (J. Chem. Inf. Model., 2021)