Author

Haitao Lin

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#artificial intelligence Preprint Oct 2026

CODesign: Consistency from Data to Trajectory in All-Atom Protein Binder Co-Design

The central challenge in de novo protein design is generating plausible, mutually compatible structures and sequences, such that each designed sequence folds into its intended structure and the structure accommodates that sequence. Compared to typical two-stage design methods, which decouple the modeling of the interde...

Yuan-Le Mo, Bo Qiang, Hai-Tao Lin et al. · 0 citations

#computer vision Oct 2025

ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design

This study presents ECloudGen, which uses latent diffusion to generate electron clouds from protein pockets and decodes them into molecules, and adopts two-stage training, which expands the chemical space accessible to generative drug design.

Odin Zhang, Jieyu Jin, Zhenxing Wu et al. · Nature Computational Science · 4 citations