Article
Allosteric pathways of SARS and SARS-CoV-2 spike protein identified by neural relational inference.
Proteins - 1 Jul 2024
Hu Yao, Li Mingwei, Wang Qian
Abstract excerpt
The receptor binding domain (RBD) of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike protein must undergo a crucial conformational transition to invade human cells. It is intriguing that this transition is accompanied by a synchronized movement of the entire spike protein. Therefore, it is possible to design allosteric regulators targeting non-RBD but hindering the conformational transition of...
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