BiophysicsbioRxiv
Near-Physiological-Temperature Serial Femtosecond X-ray Crystallography Reveals Novel Conformations of SARS-CoV-2 Main Protease Active Site for Improved Drug Repurposing
S. Durdagi, C. Dag, B. Dogan…·Sn
The paper determines two apo structures of SARS-CoV-2 main protease at near-physiological temperature using SFX and uses molecular simulations to analyze inhibitor binding for drug repurposing.
DOI 10.1016/j.str.2021.07.007