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Benchmarking AlphaFold‐enabled molecular docking predictions for antibiotic discovery

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1 Published in 2022 at "Molecular Systems Biology"

DOI: 10.15252/msb.202211081

Abstract: Efficient identification of drug mechanisms of action remains a challenge. Computational docking approaches have been widely used to predict drug binding targets; yet, such approaches depend on existing protein structures, and accurate structural predictions have… read more here.

Keywords: molecular docking; enabled molecular; model performance; benchmarking alphafold ... See more keywords