Conditional diffusion with locality-aware modal alignment for generating diverse protein conformational ensembles

Nature Machine Intelligence 2026 Open access

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Authors: Baoli wang, Chenglin Wang, Jingyang Chen, Danlin Liu, Changzhi Sun, Jie Zhang, Kai Zhang, Honglin Li
DOI: 10.1038/s42256-026-01198-9
Cited by: 2
References: 76

Abstract

Wang et al. introduce Mac-Diff, a conditional diffusion model with locality-aware attention across modalities, to generate diverse conformational ensembles for unseen proteins, capturing both dynamic flexibility and structural heterogeneity.

Fields of Study & Subjects

Protein Structure and Dynamics Machine Learning in Bioinformatics Bioinformatics and Genomic Networks

Publication details

Journal / source
Nature Machine Intelligence
Publisher
Springer Science and Business Media LLC
Volume
8
Issue
3
Pages
415–434
Publication date
25 February 2026
Language
EN