Free Energy Landscapes from SARS-CoV-2 Spike Glycoprotein Simulations Suggest that RBD Opening Can Be Modulated via Interactions in an Allosteric Pocket
SARS-CoV-2刺突糖蛋白模拟得到的自由能景观表明,RBD的开放可以通过变构口袋中的相互作用进行调节。
期刊:Journal of the American Chemical Society
影响因子:15.6
doi:10.1021/jacs.1c00556
Fallon, Lucy; Belfon, Kellon A A; Raguette, Lauren; Wang, Yuzhang; Stepanenko, Darya; Cuomo, Abbigayle; Guerra, Jose; Budhan, Stephanie; Varghese, Sarah; Corbo, Christopher P; Rizzo, Robert C; Simmerling, Carlos