Probing the Allosteric Inhibition Mechanism of a Spike Protein Using Molecular Dynamics Simulations and Active Compound Identifications

Published in Journal of Medicinal Chemistry, 2022

Recommended citation: Qian Wang, Lin Wang, Yumin Zhang, Xiang Zhang, Leike Zhang, Weijuan Shang, Fang Bai, "Probing the Allosteric Inhibition Mechanism of a Spike Protein Using Molecular Dynamics Simulations and Active Compound Identifications." Journal of Medicinal Chemistry, 2022. https://doi.org/10.1021/acs.jmedchem.1c00320