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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...
Autores principales: | Wong, Felix, Krishnan, Aarti, Zheng, Erica J, Stärk, Hannes, Manson, Abigail L, Earl, Ashlee M, Jaakkola, Tommi, Collins, James J |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9446081/ https://www.ncbi.nlm.nih.gov/pubmed/36065847 http://dx.doi.org/10.15252/msb.202211081 |
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