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Runming Wang

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Book Open access Jun 2026

DeepMetal: A Hierarchical Coarse-to-Fine Framework for Metal-Binding Site Prediction via Protein Language Models and SE(3)-Equivariant Graph Neural Networks

DeepMetal, a hierarchical coarse-to-fine framework that combines ESM-2 residue screening, biophysics-constrained Dynamic Center-Iterative Clustering (DCIC), and a site-level SE(3)-equivariant graph neural network for candidate-site validation and metal typing, is presented.

Bing Liu, Yangfan Xu, Yunpeng Wang et al. · 0 citations