Author

Paul Shinn

National Institutes of HealthORCID 0000-0002-7164-0465Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Research Focus:drug response / drug discovery· 4 Approach:deep learning· 2 Organism:human· 2 Approach:statistical model· 2 Approach:experimental assay· 1 Approach:machine learning (classical)· 1 Assay:proteomics· 1 Approach:simulation· 1

Frequent Co-Authors

Matthew D. HalliD· 3 shared Anton SimeonoviD· 2 shared Min Shen· 2 shared Xin HuiD· 2 shared Ajit Jadhav· 1 shared Alexey Zakharov· 1 shared Catherine Z. CheniD· 1 shared Dorian M. Cheff· 1 shared

Activity by Year

2017-2024 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 33 mutual co-author links

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3 shared papersBioinformatics

Matthew D. HallORCID

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Author profile →

4 papers

Recent·Most cited

A Comprehensive Collection of Pain and Opioid Use Disorder Compounds for High-Throughput Screening and Artificial Intelligence-Driven Drug Discovery

Xin Hu, Paul Shinn, Zina Itkin, Lin Ye, Ya-Qin Zhang, Min Shen, Stephanie L. Ford‐Scheimer, Matthew D. Hall

The paper creates a comprehensive small molecule library for pain and opioid use disorder with physical samples and an AI-driven platform for drug discovery.

ACS Pharmacology & Translational Science · Jul 22, 2024Peer-reviewedBioinformatics

Retro Drug Design: From Target Properties to Molecular Structures

Yuhong Wang, Sam Michael, Shyh‐Ming Yang, Ruili Huang, Kennie Cruz-Gutierrez, Yaqing Zhang, Jinghua Zhao, Menghang Xia, Paul Shinn, Hongmao Sun

This paper introduces retro drug design (RDD), an AI method to generate novel small molecule drugs with desired properties, and demonstrates its ability to produce compounds with biological activity and BBB permeability.

Journal of Chemical Information and Modeling · Jun 2, 2022Peer-reviewedBioinformatics

Discovery of TMPRSS2 inhibitors from virtual screening

Xin Hu, Jonathan H. Shrimp, Hui Guo, Miao Xu, Catherine Z. Chen, Wei Zhu, Alexey Zakharov, Sankalp Jain, Paul Shinn, Anton Simeonov, Matthew D. Hall, Min Shen

This study identifies novel TMPRSS2 inhibitors through virtual screening and experimental validation, offering potential drug candidates for COVID-19 treatment.

bioRxiv · Dec 28, 2020 · PreprintBioinformatics

Small Molecule Inhibitors of the Human Histone Lysine Methyltransferase NSD2 / WHSC1 / MMSET Identified from a Quantitative High-Throughput Screen with Nucleosome Substrate

Nathan P. Coussens, Stephen C. Kales, Mark J. Henderson, Olivia W. Lee, Kurumi Y. Horiuchi, Yuren Wang, Qing Chen, Ekaterina Kuznetsova, Jianghong Wu, Dorian M. Cheff, Ken Chih-Chien Cheng, Paul Shinn, Kyle R. Brimacombe, Min Shen, Anton Simeonov, , Matthew D. Hall

This study identifies five small molecule inhibitors of NSD2 through high-throughput screening and validates their activity in cell-based assays.

bioRxiv · Oct 24, 2017 · PreprintCancer Biology