Article
Low-Entropy Hydration Shells at the Spike RBD's Binding Site May Reveal the Contagiousness of SARS-CoV-2 Variants.
Biomolecules - 7 Nov 2023
Yang Lin, Guo Shuai, Hou Chengyu, Jiang Shenda, Shi Liping, Ma Xiaoliang, Zheng Bing, Fang Yi, Ye Lin, He Xiaodong
Abstract excerpt
The infectivity of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is primarily determined by the binding affinity between the receptor-binding domain (RBD) of the spike protein and the angiotensin-converting enzyme 2 (ACE2) receptor. Here, through screening off pseudo hydrophilic groups on protein surfaces, the distribution of low-entropy regions on hydration shells of the ACE2 receptor and the...
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