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

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

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

Protein pKa Prediction with Machine Learning

MF-SuP-pKa: Multi-fidelity modeling with subgraph pooling mechanism for pKa prediction - ScienceDirect

PDF) Predicting pKa Adam Lee

Comparative Performance of High-Throughput Methods for Protein pKa Predictions

DeepNC: a framework for drug-target interaction prediction with graph neural networks [PeerJ]

Surface-based protein domains retrieval methods from a SHREC2021 challenge - ScienceDirect

Basis for Accurate Protein pKa Prediction with Machine Learning

Biomolecules, Free Full-Text

PDF] PKAD: a database of experimentally measured pKa values of ionizable groups in proteins

PDF) Predicting pKa Adam Lee

PDF) Protein pKa prediction by tree-based machine learning