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PubMed COVID-19 Clinical Care

3941 - 3950 of 4197 results found

SARS-CoV2 billion-compound docking

Date
Tuesday, March 28, 2023 - 4:00 AM
Description
This dataset contains ligand conformations and docking scores for 1.4 billion molecules docked against 6 structural targets from SARS-CoV2, representing 5 unique proteins: MPro, NSP15, PLPro, RDRP, and the Spike protein. Docking was carried out using