Author

Yuanjun Shi

Yale UniversityORCID 0000-0002-9240-6950Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Signature Assays, Organisms & Methods

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Organism:human· 3 Approach:experimental assay· 2 Research Focus:protein structure prediction· 2 Approach:statistical model· 2 Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Approach:mechanistic / dynamical model· 1 Research Focus:protein design· 1

Frequent Co-Authors

Víctor S. BatistaiD· 3 shared Haote LiiD· 2 shared Jimin WangiD· 2 shared Christopher Bunick· 1 shared Christopher G. BunickiD· 1 shared Divya RajendraniD· 1 shared George P. LisiiD· 1 shared Iz Varghese· 1 shared

Activity by Year

2025-2026 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 24 mutual co-author links

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3 shared papersBiochemistry

Víctor S. BatistaORCID

Mutual co-authors in cluster

Author profile →

3 papers

Recent·Most cited

Humanized Anti-PD-1 Antibodies Generated Using The Conditional Kernel-Elastic Autoencoder

Yuanjun Shi, Haote Li, Pulan Liu, Christopher Bunick, Shaogeng Tang, Jimin Wang, Víctor S. Batista

This paper uses a machine learning model to generate new anti-PD-1 antibodies with improved potency, validated through molecular dynamics simulations and experimental testing.

bioRxiv · Aug 4, 2026 · PreprintBiochemistry

Crystal structure and molecular dynamics simulations of rademikibart Fab-IL-4Rα complex reveal biochemical basis for next-generation potent IL-4Rα inhibition in type 2 allergic and inflammatory diseases

Yuanjun Shi, Kelsey A Nolden, Minh Ho, Haote Li, Víctor S. Batista, Raúl Collazo, Christopher G. Bunick

This paper determines the crystal structure of rademikibart Fab-IL-4Rα complex and performs MD simulations to show its superior binding and inhibition of IL-4R compared to dupilumab.

bioRxiv · Apr 13, 2026 · PreprintBiochemistry

Allosteric Modulation of MIF-2 Structure, Catalysis, and Biological Signaling via Cysteine Residues and a Small Molecule, Ebselen

Vinnie Widjaja, Sirena M. D’Orazio, Pragnya Das, Xander Takada, Divya Rajendran, Yuanjun Shi, Iz Varghese, Yannie Lam, Jimin Wang, Víctor S. Batista, Vineet Bhandari, George P. Lisi

This study investigates how Ebselen modulates MIF-2 structure, catalysis, and signaling through cysteine residues, revealing its impact on trimer stability and function.

bioRxiv · May 15, 2025 · PreprintBiophysics