Accurate and Rapid Prediction of Protein pKa: Protein Language Models Reveal the Sequence-pKa Relationship.

A preprint abstract from biorxiv.org discusses a new method called pKALM for predicting protein pKa values. The method uses a protein language model (PLM) to capture the sequence-structure relationship of proteins and achieves state-of-the-art performance. pKALM accurately predicts the pKa values of six residues and two termini with high precision and efficiency, including both exposed and buried residues. The study also suggests that predicted protein isoelectric points (pI) can improve the accuracy of pKa prediction. The method is expected to be a valuable tool for researchers in biochemistry, biophysics, and drug design. [Extracted from the article]