Author

Junmei Wang

University of PittsburghORCID 0000-0002-9607-8229Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Bioinformatics· 1 Biophysics· 1 Pharmacology & Toxicology· 1

Signature Assays, Organisms & Methods

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Approach:deep learning· 2 Research Focus:drug response / drug discovery· 2 Approach:statistical model· 2 Research Focus:benchmarking· 1 Approach:diffusion model· 1 Organism:human· 1 Assay:protein structure· 1 Research Focus:protein structure prediction· 1

Frequent Co-Authors

Haocheng TangiD· 2 shared Amitesh BadkuliD· 1 shared Ilkwon ChoiD· 1 shared Kangdelong HuiD· 1 shared Lei XieiD· 1 shared Lianjin CaiiD· 1 shared Minseok KimiD· 1 shared Olexandr IsayeviD· 1 shared

Activity by Year

2025-2026 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 21 mutual co-author links

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2 shared papersBiophysics

Haocheng TangORCID

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3 papers

Recent·Most cited

Hybrid Mechanistic-Neural Modeling of Concentration-Time Dynamics Generalizes Human Pharmacokinetics Prediction Across Unseen Chemical Space

Amitesh Badkul, Lianjin Cai, Minseok Kim, Junmei Wang, Lei Xie

PK-MUSE improves pharmacokinetics prediction by combining mechanistic models with neural corrections, achieving better performance across unseen chemical structures.

bioRxiv · Oct 8, 2026 · PreprintPharmacology & Toxicology

High-throughput physics-based enzyme engineering

Xujian Wang, Xiang Qiu, Yuyang Wu, Taoyu Niu, Shuhao Zhang, Runtian Gao, Ilkwon Cho, Haocheng Tang, Kangdelong Hu, Xiaoguang Lei, Olexandr Isayev, Junmei Wang

This paper introduces a physics-based framework for enzyme engineering that combines machine learning and molecular mechanics to predict catalytic rates and selectivity with high accuracy.

bioRxiv · Sep 17, 2026 · PreprintBiophysics

Accurate Site-specific Folding via Conditional Diffusion Based on Alphafold3

Haocheng Tang, Junmei Wang

SiteAF3 improves AlphaFold3's accuracy for site-specific folding of biomolecular complexes using conditional diffusion, outperforming AlphaFold3 on various datasets.

Proceedings of the National Academy of Sciences · Oct 30, 2025Peer-reviewedBioinformatics