Xinheng He — accepted AI-conference papers

2026

ProteinAE: Protein Diffusion Autoencoders for Structure Encoding

Shaoning Li, Le Zhuo, Yusong Wang, Mingyu Li, Xinheng He, Fandi Wu +2

ICLR 2026poster

Developing effective representations of protein structures is essential for advancing protein science, particularly for protein generative modeling. Current approaches often grapple with the complexities of the $\operatorname{SE}(3)$ manifold, rely on discrete tokenization, or the need for multiple…

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2025

Integrating Protein Dynamics into Structure-Based Drug Design via Full-Atom Stochastic Flows

Xiangxin Zhou, Yi Xiao, Haowei Lin, Xinheng He, Jiaqi Guan, Yang Wang +4

ICLR 2025poster

The dynamic nature of proteins, influenced by ligand interactions, is essential for comprehending protein function and progressing drug discovery. Traditional structure-based drug design (SBDD) approaches typically target binding sites with rigid structures, limiting their practical application in d…

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