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Insights from in silico study of receptor energetics of SARS-CoV-2 variants.

Physical chemistry chemical physics : PCCP - 13 Mar 2024

Dhami Lokendra Singh, Dahal Prabin, Thapa Bidhya, Gautam Narayan, Pantha Nurapati, Adhikari Rameshwar, Adhikari Narayan Prasad

Abstract excerpt

The emergence of new variants of the novel coronavirus SARS-CoV-2 with increased infectivity, superior virulence, high transmissibility, and unmatched immune escape has demonstrated the adaptability and evolutionary fitness of the virus. The subject of relative order of the binding affinity of SARS-CoV-2 variants with the human ACE2 (hACE2) receptor is hotly debated and its resolution has implications for drug...

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PMID: 38420855
DOI: 10.1039/d3cp04997c

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