Article

Predicting Protein Electrostatics with Protein Language Models

2025-04-21

Abstract excerpt

Ionization states play crucial roles in protein function, yet predicting protein p K a values remains a formidable challenge despite decades of research. Here we present KaML-ESM2 and KaML-ESMC, neural network task heads built on ESM protein language models (pLMs) and trained on the PKAD-3r experimental dataset augmented via GAINES, a latent-space sampling strategy for addressing data scarcity. KaML-ESM2/ESMC sig...

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Literature Corpus work: c44cc247-8766-5241-b4d7-2edb60381525
DOI: 10.1101/2025.04.17.649309

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