Multiple protonation states in ligand-free SARS-CoV-2 main protease revealed by large-scale quantum molecular dynamics simulations

Junichi Ono, Uika Koshimizu, Yoshifumi Fukunishi, Hiromi Nakai*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

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Physics & Astronomy

Chemical Compounds