Deep Learning for Protein Complex Prediction and Design

Fuente: arXiv
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Autore principale: Xie, Ziwei
Natura: Preprint
Pubblicazione: 2026
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author Xie, Ziwei
author_facet Xie, Ziwei
contents 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.
format Preprint
id arxiv_https___arxiv_org_abs_2605_11189
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Deep Learning for Protein Complex Prediction and Design
Xie, Ziwei
Machine Learning
Biomolecules
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.
title Deep Learning for Protein Complex Prediction and Design
topic Machine Learning
Biomolecules
url https://arxiv.org/abs/2605.11189