DEMO-EMol: modeling protein-nucleic acid complex structures from cryo-EM maps by coupling chain assembly with map segmentation DOI Creative Commons
Ziying Zhang, Liang Xu,

Shuai Zhang

et al.

Nucleic Acids Research, Journal Year: 2025, Volume and Issue: unknown

Published: May 14, 2025

Abstract Atomic structure modeling is a crucial step in determining the structures of protein complexes using cryo-electron microscopy (cryo-EM). This work introduces DEMO-EMol, an improved server that integrates deep learning-based map segmentation and chain fitting to accurately assemble protein–nucleic acid (NA) complex from cryo-EM density maps. Starting independently modeled structures, DEMO-EMol first segments NA regions learning. The overall then assembled by models into their respective segmented maps, followed domain-level optimization for chains. output includes final model along with residue-level quality assessments. was evaluated on comprehensive benchmark set maps resolutions ranging 1.96 12.77 Å, results demonstrated its superior performance over state-of-the-art methods both protein-NA protein–protein modeling. web freely accessible at https://zhanggroup.org/DEMO-EMol/.

Language: Английский

DEMO-EMol: modeling protein-nucleic acid complex structures from cryo-EM maps by coupling chain assembly with map segmentation DOI Creative Commons
Ziying Zhang, Liang Xu,

Shuai Zhang

et al.

Nucleic Acids Research, Journal Year: 2025, Volume and Issue: unknown

Published: May 14, 2025

Abstract Atomic structure modeling is a crucial step in determining the structures of protein complexes using cryo-electron microscopy (cryo-EM). This work introduces DEMO-EMol, an improved server that integrates deep learning-based map segmentation and chain fitting to accurately assemble protein–nucleic acid (NA) complex from cryo-EM density maps. Starting independently modeled structures, DEMO-EMol first segments NA regions learning. The overall then assembled by models into their respective segmented maps, followed domain-level optimization for chains. output includes final model along with residue-level quality assessments. was evaluated on comprehensive benchmark set maps resolutions ranging 1.96 12.77 Å, results demonstrated its superior performance over state-of-the-art methods both protein-NA protein–protein modeling. web freely accessible at https://zhanggroup.org/DEMO-EMol/.

Language: Английский

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