A small step toward generalizability: training a machine learning scoring function for structure-based virtual screening

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• Exploring the ability of machine learning-based virtual screening models to identify the functional groups responsible for binding
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  Được phát hành: (2023-09-01)
• Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structures
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  Được phát hành: (2024)
• Fragment libraries designed to be functionally diverse recover protein binding information more efficiently than standard structurally diverse libraries
  Bằng: Carbery, A, et al.
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