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PDF) A fast and interpretable deep learning approach for accurate electrostatics-driven pKa predictions in proteins

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Prediction Machines: Applied Machine Learning for Therapeutic Protein Design and Development - Journal of Pharmaceutical Sciences

Biomolecules, Free Full-Text

PDF) A Fast and Interpretable Deep Learning Approach for Accurate Electrostatics-Driven p K a Predictions in Proteins

Frontiers, Application of Machine Learning for Drug–Target Interaction Prediction

Calibrated geometric deep learning improves kinase–drug binding predictions

A Fast and Interpretable Deep Learning Approach for Accurate Electrostatics-Driven pKa Predictions in Proteins

A Fast and Interpretable Deep Learning Approach for Accurate Electrostatics-Driven pKa Predictions in Proteins

Improving Small Molecule pKa Prediction Using Transfer Learning with Graph Neural Networks

Basis for Accurate Protein pKa Prediction with Machine Learning