Conditional Diffusion with Locality-Aware Modal Alignment for Generating Diverse Protein Conformational Ensembles
Baoli wang, Chenglin Wang, Jingyang Chen, Danlin Liu, Changzhi Sun, Jie Zhang, Kai Zhang, Honglin Li
This paper introduces Mac-Diff, a diffusion model that generates diverse protein conformations by aligning sequence and geometry views, showing improved recovery of conformational distributions and meta-stable states.
Nature Machine Intelligence · Feb 25, 2026Peer-reviewedBioinformatics