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Learning from Hetero Density for Cryo-EM Protein Reconstruction

arXiv机器学习 2026-10-08 15:34 4 阅读 查看原文

Reconstructing protein structures from cryo-electron microscopy (cryo-EM) maps is essential for understanding macromolecular assemblies.

Although learning-based methods have improved protein reconstruction, information from hetero components remains underused.

Our analysis finds both false predictions and reference protein sites near hetero components; filtering nearby candidates can improve or impair chain construction.

CryoCue Framework Introduction

We introduce CryoCue, a framework that uses hetero information to guide protein reconstruction.

An anchor-supervised detector learns hetero representations across five component classes.

Multiscale hetero features guide backbone localization, while predicted hetero candidates condition structure refinement through their class, confidence, and frame-relative geometry.

Experiments and Results

Experiments show that CryoCue improves backbone localization near hetero components and achieves more accurate protein structure reconstruction.