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Computational modelling of potentially emerging SARS-CoV-2 spike protein RBDs mutations with higher binding affinity towards ACE2: A structural modelling study.

Computers in biology and medicine - 1 Feb 2022

Khan Abbas, Hussain Sarfaraz, Ahmad Sajjad, Suleman Muhammad, Bukhari Imrana, Khan Taimoor, Rashid Farooq, Azad Abul Kalam, Waseem Muhammad, Khan Wajid, Hussain Zahid, Khan Asghar, Ali Syed Shujait, Qin Qiyao, Wei Dong-Qing

Abstract excerpt

The spike protein of SARS-CoV-2 and the host ACE2 receptor plays a vital role in the entry to the cell. Among which the hotspot residue 501 is continuously subjected to positive selection pressure and induces unusual virulence. Keeping in view the importance of the hot spot residue 501, we predicted the potentially emerging structural variants of 501 residue. We analyzed the binding pattern of wild type and...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Identifiers

PMID: 34979405
DOI: 10.1016/j.compbiomed.2021.105163
PMCID: PMC8716154

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