"Active Learning-Guided Hit Optimization for the Leucine-Rich Repeat Kinase ..."

Filipp Gusev et al. (2025)

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DOI: 10.1021/ACS.JCIM.5C00588

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type: Journal Article

metadata version: 2025-08-09

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Filipp Gusev, Evgeny Gutkin, Francesco Gentile, Fuqiang Ban, S. Benjamin Koby, Fengling Li, Irene Chau, Suzanne Ackloo, Cheryl H. Arrowsmith, Albina Bolotokova, Pegah Ghiabi, Elisa Gibson, Levon Halabelian, Scott Houliston, Rachel J. Harding, Ashley Hutchinson, Peter Loppnau, Sumera Perveen, Almagul Seitova, Hong Zeng, Matthieu Schapira, Artem Cherkasov, Olexandr Isayev, Maria G. Kurnikova:
Active Learning-Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand-Binding Affinities. J. Chem. Inf. Model. 65(11): 5706-5717 (2025)

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