Isabella Glenn

Computer Science · Physical Sciences

9h-index343citations23works14.12yr avg
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Research Topics

Computational Drug Discovery Methods(7), Click Chemistry and Applications(4), Pharmacological Receptor Mechanisms and Effects(4), SARS-CoV-2 and COVID-19 Research(3), Synthesis and biological activity(3)

Publications23 total

AlphaFold2 structures guide prospective ligand discovery
UNC Libraries·2026Open Access
Drug-induced phospholipidosis as an artifact in antiviral drug repurposing
2025Open Access
Correction to “Identifying Artifacts from Large Library Docking”
Journal of Medicinal Chemistry·2025Open Access
CNPY4 is a Lipid-Binding Regulator of Sphingolipid Homeostasis
2025Open Access
Structure-based discovery of highly bioavailable, covalent, broad-spectrum coronavirus M <sup>Pro</sup> inhibitors with potent in vivo efficacy
Science Advances·2025· 8 citedOpen Access
Virtual library docking for cannabinoid-1 receptor agonists with reduced side effects
Nature Communications·2025· 9 citedOpen Access
Structure-based discovery of highly bioavailable, covalent, broad-spectrum coronavirus-M <sup>Pro</sup> inhibitors with potent in vivo efficacy
2025Open Access
The impact of library size and scale of testing on virtual screening
Nature Chemical Biology·2025· 29 citedOpen Access
<i>In Vitro</i> Biological Target Screening and Colloidal Aggregation of Minor Cannabinoids
Journal of Natural Products·2024· 2 cited
Large library docking identifies positive allosteric modulators of the calcium-sensing receptor
Science·2024· 31 citedOpen Access
Identifying Artifacts from Large Library Docking
Journal of Medicinal Chemistry·2024· 12 citedOpen Access
Identifying Artifacts from Large Library Docking
2024Open Access
The impact of Library Size and Scale of Testing on Virtual Screening
2024· 6 citedOpen Access
Colloidal Aggregation Confounds Cell-Based Covid-19 Antiviral Screens
Journal of Medicinal Chemistry·2024· 13 citedOpen Access
AlphaFold2 structures guide prospective ligand discovery
Science·2024· 116 citedOpen Access
Docking for molecules that bind in a symmetric stack to Alzheimer’s disease tau fibrils with SymDOCK
Biophysical Journal·2024Open Access
Small vs. Large Library Docking for Positive Allosteric Modulators of the Calcium Sensing Receptor
2023· 4 citedOpen Access
Colloidal aggregation confounds cell-based Covid-19 antiviral screens
2023· 4 citedOpen Access
Large library docking for novel <scp>SARS‐CoV</scp> ‐2 main protease non‐covalent and covalent inhibitors
Protein Science·2023· 38 citedOpen Access
Structure-Based Discovery of Inhibitors of the SARS-CoV-2 Nsp14 N7-Methyltransferase
Journal of Medicinal Chemistry·2023· 47 citedOpen Access
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Frequent Co-authors

Brian K. Shoichet(18), John J. Irwin(13), Yurii S. Moroz(11), Mélanie Ott(7), Jiankun Lyu(5), Elissa A. Fink(5), Fangyu Liu(5), Lu Paris(5), Tia A. Tummino(4), Olga O. Tarkhanova(4), Georgios Skiniotis(4), Isha Singh(4), Kris M. White(4), Xiaobo Wan(4), Seth F. Vigneron(4), Adam R. Renslo(4), Charles S. Craik(4), Karla Fonseca-Valencia(4), Dmytro S. Radchenko(4), Fangyu Liu(4)