Author

Wenbiao Zhou

ORCID 0000-0002-7168-3676Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Bioinformatics· 5

Signature Assays, Organisms & Methods

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Approach:deep learning· 4 Research Focus:drug response / drug discovery· 4 Assay:protein structure· 4 Research Focus:benchmarking· 3 Research Focus:software / tool· 2 Research Focus:database / resource· 1 Approach:experimental assay· 1 Approach:statistical model· 1

Frequent Co-Authors

Bo HuangiD· 5 shared Bin XiiD· 3 shared Han WangiD· 3 shared Xiaoman WangiD· 3 shared Yuji WangiD· 3 shared Zhenming LiuiD· 3 shared Bowen ZhangiD· 2 shared Daohua JiangiD· 2 shared

Activity by Year

2022-2026 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 43 mutual co-author links

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5 shared papersBioinformatics

Bo HuangORCID

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5 papers

Recent·Most cited

Assessing Conformation Validity and Rationality of Deep Learning-Generated 3D Molecules

Fan Fan, Bin Xi, Xianghu Meng, Han Wang, Bowen Zhang, Qingbo Xu, Wei Feng, Wenfeng Gao, Xiaoman Wang, Yuji Wang, Hongbo Zhang, Feng Zhou, Zhenming Liu, Wenbiao Zhou, Bo Huang

This paper introduces a two-stage method to evaluate 3D molecule conformations generated by AI, achieving high speed and quantum mechanical accuracy.

Nature Communications · Feb 7, 2026Peer-reviewedBioinformatics

A unified language model bridging de novo and fragment-based 3D molecule design delivers potent CBL-B inhibitors for cancer treatment

Han Wang, Guocheng Sun, Bowen Zhang, Yang Wang, Bin Xi, Minjian Yang, Chuanyu Liu, Yuyang Ge, Fan Fan, Wei Feng, Yanhao Zhu, Yang Xiao, Yuji Wang, Zhenming Liu, Daohua Jiang, , Bo Huang

bioRxiv · Nov 13, 2025 · PreprintBioinformatics

Pocket-based molecule generation with an SE(3)-equivariant language model leads to a potent and selective HPK1 inhibitor with in vivo efficacy

Bin Xi, Han Wang, Guocheng Sun, Bowen Zhang, Ruihan Mao, Yuyang Ge, Yang Wang, Jiangtao Zhang, Yiting Pan, Feng Zhou, Yuji Wang, Zhenming Liu, Daohua Jiang, Huting Wang, Wenbiao Zhou, Bo Huang

bioRxiv · Sep 23, 2025 · PreprintBioinformatics

Using macromolecular electron densities to improve the enrichment of active compounds in virtual screening

Wenzhi Ma, Wei Zhang, Yuan Le, Xiaoxuan Shi, Qingbo Xu, Xiao Ping Yang, Yueying Dou, Xiaoman Wang, Wenbiao Zhou, Wei Peng, Hongbo Zhang, Bo Huang

This paper introduces ExptGMS, a method using experimental electron density data to improve virtual screening by enhancing active compound enrichment, achieving a 20% improvement and identifying new inhibitors.

Communications Chemistry · Aug 22, 2023Peer-reviewedBioinformatics

Thinking like a structural biologist: A pocket-based 3D molecule generative model fueled by electron density

Lvwei Wang, Rong Bai, Xiaoxuan Shi, Wei Zhang, Yinuo Cui, Xiaoman Wang, Cheng Wang, Hao‐Yu Chang, Yingsheng Zhang, Jielong Zhou, Wei Peng, Wenbiao Zhou, Bo Huang

The paper introduces a 3D molecule generative model using electron density data to create drug-like molecules that match target protein pockets and active compounds.

Scientific Reports · Sep 6, 2022Peer-reviewedBioinformatics