Benchmarking AlphaFold-enabled molecular docking predictions for antibiotic discovery
Molecular Systems Biology (2022), published online 6 September 2022. Dates from the JATS history in the Europe PMC full text: received 18 April 2022, revised 12 June 2022, accepted 26 July 2022, epub 6 September 2022, collection September 2022.
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- Benchmarking AlphaFold-enabled molecular docking predictions for antibiotic discovery Molecular Systems Biology (via Europe PMC full text) · published 2022-09-06 · Retrieved for the candidate pack on 2026-10-30 (SHA-256 bab05e84181322600ccd05fb1f66f3024baa9232f055cccc37ed5f7caada7727). Europe PMC full-text XML of PMC9446081, the open-access version of record deposited by the publisher.
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- Predicted protein structures aid drug designWong et al. (Molecular Systems Biology, 6 September 2022) report that docking compounds against AlphaFold2-predicted structures of essential Escherichia coli proteins gave weak performance in their benchmark, and state that advances in modelling protein-ligand interactions are needed to better harness AlphaFold2 for drug discovery.2022-09-06 · publication · Stated in source · Supported Inspect claim & evidence ↗Predicted protein structures aid drug design: propositions page →
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