Illuminating the Dark Kinome through Protein Language Models, Symbolic Regression, and Structure-Based Prioritisation
Year: 2026
Type: preprint
Abstract: Computational prioritisation framework for 143 Tdark kinases integrating ESM-2 embeddings, AlphaFold2 structures, KIBA bioactivity data, symbolic regression (PySR), and AutoDock Vina virtual screening. 18/20 top-ranked candidates de-orphanised post-2018 (OR ~19, p < 10⁻¹⁰). Full reproducible code available at: https://www.kaggle.com/code/igormerlinicomposer/dark-kinome-unveiled
Author: Merlini, Igor
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7162846476
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