AI Article Synopsis
- SARS-CoV-2, the virus causing the COVID-19 pandemic since 2019, primarily uses its spike protein to invade human cells.
- Molecular dynamics (MD) is a computational method that helps scientists study the spike protein's structure and behavior at an atomic level.
- Key findings discussed include the spike protein's flexibility, rare conformational changes, the impact of glycans, implications for drug repurposing, and effects of spike protein variants.
Article Abstract
The SARS-CoV-2 virus is responsible for the COVID-19 pandemic the world experience since 2019. The protein responsible for the first steps of cell invasion, the spike protein, has probably received the most attention in light of its central role during infection. Computational approaches are among the tools employed by the scientific community in the enormous effort to study this new affliction. One of these methods, namely molecular dynamics (MD), has been used to characterize the function of the spike protein at the atomic level and unveil its structural features from a dynamic perspective. In this review, we focus on these main findings, including spike protein flexibility, rare S protein conformational changes, cryptic epitopes, the role of glycans, drug repurposing, and the effect of spike protein variants.
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Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9350306 | PMC |
| http://dx.doi.org/10.1002/bies.202200060 | DOI Listing |
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