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European Journal of Medicinal Chemistry|March 8, 2026
Identification and optimization of first-in-class RNA helicase inhibitors of DDX1, LGP2, and MDA5Xiaowen Wang, Feijun Wang, Deyu Kong, et al.
Journal of Medicinal Chemistry|February 19, 2024
Structure-Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-MalarialsJohn A Gilleran, Kutub Ashraf, Melvin Delvillar, et al.
Chemical Science|January 29, 2025
Functionally active modulators targeting the LRRK2 WD40 repeat domain identified by FRASE-bot in CACHE Challenge #1Akhila Mettu, Marta Glavatskikh, Xiaowen Wang, et al.
Proceedings of the National Academy of Sciences of the United States of America|June 5, 2026
High-throughput protein target mapping enables accelerated bioactivity discovery for ToxCast and PFAS compoundsDiwen Yang, Xiaoyun Wang, Jiabao Liu, et al.
Journal of Chemical Information and Modeling|May 26, 2025
Active Learning-Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand-Binding AffinitiesFilipp Gusev, Evgeny Gutkin, Francesco Gentile, et al.
Biorxiv : the Preprint Server for Biology|April 8, 2025
High-throughput protein target mapping enables accelerated bioactivity discovery for ToxCast and PFAS compoundsDiwen Yang, Xiaoyun Wang, Jiabao Liu, et al.
Journal of Medicinal Chemistry|November 23, 2023
Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine LearningShabbir Ahmad, Jin Xu, Jianwen A Feng, et al.
Biorxiv : the Preprint Server for Biology|October 10, 2024
Potent and Selective SETDB1 Covalent Negative Allosteric Modulator Reduces Methyltransferase Activity in CellsMélanie Uguen, Devan J Shell, Madhushika Silva, et al.
Nature Communications|February 24, 2025
Potent and selective SETDB1 covalent negative allosteric modulator reduces methyltransferase activity in cellsMélanie Uguen, Devan J Shell, Madhushika Silva, et al.
Journal of Medicinal Chemistry|February 16, 2021
A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6Yudao Shen, Fengling Li, Magdalena M Szewczyk, et al.
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