Benchmarking AlphaFold ‐enabled molecular docking predictions for antibiotic discovery
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 only recently become available from...
Main Authors: | Wong, Felix, Krishnan, Aarti, Zheng, Erica J, Stärk, Hannes, Manson, Abigail L, Earl, Ashlee M, Jaakkola, Tommi, Collins, James J |
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Other Authors: | Massachusetts Institute of Technology. Department of Biological Engineering |
Format: | Article |
Language: | English |
Published: |
EMBO
2023
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Online Access: | https://hdl.handle.net/1721.1/147788 |
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