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Biological and Medicinal Chemistry

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Rachel J. Harding

2 results in Authors: Rachel J. Harding

Biological and Medicinal Chemistry

Enabling Open Machine Learning of DNA Encoded Library Selections to Accelerate the Discovery of Small Molecule Protein Binders

James Wellnitz, Shabbir Ahmad, Nabin Begale, Jermiah Joseph, Hong Zeng, Albina Bolotokova, Aiping Dong, Shaghayegh Reza, Pegah Ghiabi, Gibson Elisa, Xuemin Cheng, Guiping Tu, Xianyang Li, Jian Liu, Dengfeng Dou, Jin Li, Rachel J. Harding, Aled M. Edwards, Benjamin Haibe-Kains, Levon Halabelian, Alexander Tropsha, Rafael Couñago

Version 1 posted 18 October 2024

436

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Theoretical and Computational Chemistry

Active Learning Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand Binding Affinities

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, Olexandr Isayev, Artem Cherkasov, Maria G. Kurnikova

Version 1 posted 04 October 2024

402

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