Artificial intelligence–enabled virtual screening of ultra-large chemical libraries with deep docking
Author:
Publisher
Springer Science and Business Media LLC
Subject
General Biochemistry, Genetics and Molecular Biology
Link
https://www.nature.com/articles/s41596-021-00659-2.pdf
Reference56 articles.
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3. Stein, R. M. et al. Virtual discovery of melatonin receptor ligands to modulate circadian rhythms. Nature 579, 609–614 (2020).
4. Grygorenko, O. O. et al. Generating multibillion chemical space of readily accessible screening compounds. iScience 23, 101681 (2020).
5. Acharya, A. et al. Supercomputer-based ensemble docking drug discovery pipeline with application to Covid-19. J. Chem. Inf. Model. 60, 5832–5852 (2020).
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