Virtual screening of peptides with high affinity for SARS-CoV-2 main protease
Sign Up to like & getrecommendations! Published in 2021 at "Computers in Biology and Medicine"
DOI: 10.1016/j.compbiomed.2021.104363
Abstract: The current pandemic of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused more than 2,000,000 deaths worldwide. Currently, vaccine development and drug repurposing have been the main strategies. However, the development of new drugs… read more here.
Keywords: virtual screening; high affinity; peptides high; affinity sars ... See more keywords
Electrostatic Interactions Are the Primary Determinant of the Binding Affinity of SARS-CoV-2 Spike RBD to ACE2: A Computational Case Study of Omicron Variants
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms232314796
Abstract: To explore the mechanistic origin that determines the binding affinity of SARS-CoV-2 spike receptor binding domain (RBD) to human angiotensin converting enzyme 2 (ACE2), we constructed the homology models of RBD-ACE2 complexes of four Omicron… read more here.
Keywords: binding affinity; omicron; affinity; affinity sars ... See more keywords