arXiv — Machine Learning · · 3 min read

Deep Learning for Protein Complex Prediction and Design

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Computer Science > Machine Learning

arXiv:2605.11189 (cs)
[Submitted on 11 May 2026]

Title:Deep Learning for Protein Complex Prediction and Design

Authors:Ziwei Xie
View a PDF of the paper titled Deep Learning for Protein Complex Prediction and Design, by Ziwei Xie
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Abstract:Accurately modeling and designing protein complex structures is a central problem in computational structural biology, with broad implications for understanding cellular function and developing therapeutics. This thesis investigates two fundamental aspects of this problem using deep learning: domain-specific architectures that capture the hierarchical nature of protein structures, and search algorithms that efficiently navigate the vast sequence spaces of protein complexes to identify interacting homologs for improving complex structure prediction and to design protein sequences.
Comments: PhD thesis
Subjects: Machine Learning (cs.LG); Biomolecules (q-bio.BM)
Cite as: arXiv:2605.11189 [cs.LG]
  (or arXiv:2605.11189v1 [cs.LG] for this version)
  https://doi.org/10.48550/arXiv.2605.11189
arXiv-issued DOI via DataCite (pending registration)

Submission history

From: Ziwei Xie [view email]
[v1] Mon, 11 May 2026 19:53:18 UTC (5,852 KB)
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