id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-284354-aoti88v7	Lupala, Cecylia S.	Computational analysis on the ACE2-derived peptides for neutralizing the ACE2 binding to the spike protein of SARS-CoV-2	2020-05-04		.txt	text/plain	968	63	59	title: Computational analysis on the ACE2-derived peptides for neutralizing the ACE2 binding to the spike protein of SARS-CoV-2 It has been discovered that SARS-CoV-2 initiates the entry into cells by binding to human angiotensin-converting enzyme 2 (hACE2) through the receptor binding domain (RBD) of its spike glycoprotein. Here, based on the N-terminal helix α1 of human ACE2, we designed nine short peptides that have potential to inhibit SARS-CoV-2 binding. Molecular dynamics simulations of peptides in the their free and SARS-CoV-2 RBD-bound forms allow us to identify fragments that are stable in water and have strong binding affinity to the SARS-CoV-2 spike proteins. Angiotensin-converting 302 enzyme 2 (ACE2) as a SARS-CoV-2 receptor: molecular mechanisms and potential 303 therapeutic target Computational simulations reveal the binding dynamics between human 318 ACE2 and the receptor binding domain of SARS-CoV-2 spike protein Computational Design of Peptides to Block Binding of 327 the SARS-CoV-2 Spike Protein to Human ACE2	./cache/cord-284354-aoti88v7.txt	./txt/cord-284354-aoti88v7.txt