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IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method | Journal of Chemical Information and Modeling
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Molecular Dynamics in Mixed Solvents Reveals Protein–Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions | Journal of Chemical Information and Modeling
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Highly accurate protein structure prediction with AlphaFold | Nature
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