A hybrid in silico approach reveals novel inhibitors of multiple SARS-CoV-2 variants
S. Jain, D. C. Talley, B. Baljinnyam, J. Choe, Q. Hanson, W. Zhu, M. Xu, C. Z. Chen, W. Zheng, X. Hu, M. Shen, G. Rai, M. Hall, A. Simeonov, A. V. Zakharov
The paper uses a hybrid in silico approach combining machine learning and pharmacophore modeling on NCATS screening data to identify novel inhibitors effective against multiple SARS-CoV-2 variants.
bioRxiv · Jun 4, 2021Cell Biology