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One Size Does Not Fit All: The Limits of Structure-Based Models in Drug Discovery
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Leave-Cluster-Out Cross-Validation Is Appropriate for Scoring Functions Derived from Diverse Protein Data Sets
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Distance Dependent Scoring Function for Describing Protein−Ligand Intermolecular Interactions
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Formal Estimation of Errors in Computed Absolute Interaction Energies of Protein−Ligand Complexes
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Scoring functions and their evaluation methods for protein–ligand docking: recent advances and future directions
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A machine learning approach to predicting protein–ligand binding affinity with applications to molecular docking
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Additional file 1 of Learning protein-ligand binding affinity with atomic environment vectors
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Benchmarking Free Energy Computational Methods for Revealing the Interactions Driving PARP1 Selective Inhibition
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