Author

Xiaoxuan Shi

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Bioinformatics· 2

Signature Assays, Organisms & Methods

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

Frequent Co-Authors

Bo HuangiD· 2 shared Wei PengiD· 2 shared Wenbiao ZhouiD· 2 shared Xiaoman WangiD· 2 shared Cheng WangiD· 1 shared Hao‐Yu Chang· 1 shared Hongbo ZhangiD· 1 shared Jielong Zhou· 1 shared

Activity by Year

2022-2023 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 37 mutual co-author links

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2 shared papersBioinformatics

Bo HuangORCID

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2 papers

Recent·Most cited

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