Improving diffusion-based protein backbone generation with global-geometry-aware latent encoding
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Y Zhang, Y Liu, Z Ma, M Li, C Xu, H Gong
Nature Machine Intelligence, 2025
nature.com
The global structural properties of a protein, such as shape, fold and topology, strongly affect its function. Although recent breakthroughs in diffusion-based generative models have greatly advanced de novo protein design, particularly in generating diverse and realistic structures, it remains challenging to design proteins of specific geometries without residue-level control over the topological details. A more practical, top-down approach is needed for prescribing the overall geometric arrangements of secondary structure elements in the …
