id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-281528-xy8j5jiv	Di Paola, Luisa	The Discovery of a Putative Allosteric Site in the SARS-CoV-2 Spike Protein Using an Integrated Structural/Dynamic Approach	2020-06-17		.txt	text/plain	6715	402	56	All of the adopted analyses converged toward a specific region (allosteric modulation region [AMR]), present in both complexes and predicted to act as an allosteric site modulating the binding of the spike protein with ACE2. Preliminary results on hepcidin (a molecule with strong structural and sequence with AMR) indicated an inhibitory effect on the binding affinity of the spike protein toward the ACE2 protein. We also provided biophysical evidence based on the elastic network modeling (ENM) approach, combined with perturbation-response scanning (PRS) 36 that AMRs in both viruses acted as a mediator of intermolecular allostery between the S protein and ACE2. The map of the participation coefficient projected onto the ribbon structure of the SARS-CoV/ACE2 complex ( Figure 1C ) shows an active region (P > 0) in the junction between the fusion peptide and the trimeric bulk phase of the spike protein.	./cache/cord-281528-xy8j5jiv.txt	./txt/cord-281528-xy8j5jiv.txt