Author

Yongsheng Li

Shihezi University

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Biology Disciplines

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Biochemistry· 1 Bioinformatics· 1

Signature Assays, Organisms & Methods

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Approach:deep learning· 1 Approach:graph neural network· 1 Approach:statistical model· 1 Approach:variational autoencoder· 1

Frequent Co-Authors

Qiuyin ZhuiD· 2 shared Shengwen YangiD· 2 shared Zhenming LiuiD· 2 shared Bin DaiiD· 1 shared hehua Li· 1 shared Qingkun Li· 1 shared Saisai Yu· 1 shared You Xu· 1 shared

Activity by Year

2026-2026 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 35 mutual co-author links

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2 shared papersBioinformatics

Qiuyin ZhuORCID

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2 papers

Recent·Most cited

Tractable and Thermodynamically Consistent pKa Prediction via First-Dissociation Aggregation

Zhuoyan Liu, Qiuyin Zhu, Qingkun Li, Yuanxi Zhu, You Xu, Bin Dai, Yongsheng Li, Zhenming Liu, Shengwen Yang

This paper introduces DTi-pKa, a graph neural network that predicts pKa values with thermodynamic consistency and achieves high accuracy on benchmark datasets.

bioRxiv · Oct 6, 2026 · PreprintBioinformatics

Beyond RMSD: Deterministic Dlow Matching for Ultrafast and Physically Validated Transition-State Generation

hehua Li, Saisai Yu, Qiuyin Zhu, Zhenming Liu, Yongsheng Li, Shengwen Yang

This paper introduces Kairos-GFM, a model that generates transition states with high physical fidelity and low RMSD, outperforming diffusion-based methods but underperforming transport-based ones.

bioRxiv · Oct 1, 2026 · PreprintBiochemistry