Author

Xiang Yu

Eli Lilly (United States)

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

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Biology Disciplines

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Biochemistry· 1 Bioinformatics· 1

Signature Assays, Organisms & Methods

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Approach:benchmark study· 1 Assay:cryo-EM· 1 Research Focus:drug response / drug discovery· 1 Approach:experimental assay· 1 Organism:human· 1 Research Focus:protein structure prediction· 1

Frequent Co-Authors

Akshat Shirish ZalteiD· 1 shared Alan C. ChengiD· 1 shared Andreas BenderiD· 1 shared Arijit PatraiD· 1 shared Cas WognumiD· 1 shared Cheng Fang· 1 shared Chia‐Hsueh LeeiD· 1 shared Daniel J. Price· 1 shared

Activity by Year

2026-2026 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 36 mutual co-author links

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1 shared paperBioinformatics

Akshat Shirish ZalteORCID

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2 papers

Recent·Most cited

Model Validation Protocols for Machine Learning in Small Molecule Drug Discovery

Srijit Seal, Akshat Shirish Zalte, David Alencar Araripe, Renan Augusto Gomes, Deepa Korani, Mrinal Shekhar, Vishal B. Siramshetty, Arijit Patra, Zhongyu Mou, Xiang Yu, Daniel Kühn, Nils Weskamp, Jeremy R. Ash, Alan C. Cheng, Cheng Fang, , Cas Wognum

The paper presents a model validation framework for molecular property prediction models in drug discovery, revealing four failure modes and showing that common evaluation protocols overestimate performance.

bioRxiv · Aug 24, 2026 · PreprintBioinformatics

Structure and mechanism of human sphingosine-1-phosphate transporter MFSD2B

Shahbaz Ahmed, Min Huang, Yaxin Dai, Xuebo Yang, Jiajun Dong, Xiang Yu, Chia‐Hsueh Lee, Long Nam Nguyen

This study determines the cryo-EM structure of MFSD2B bound to S1P and identifies its transport mechanism through mutagenesis and simulations.

Nature Communications · Aug 12, 2026Peer-reviewedBiochemistry