Molecular Dynamics and MM-PBSA Analysis of the SARS-CoV-2 Gamma Variant in Complex with the hACE-2 Receptor

Molecular Dynamics and MM-PBSA Analysis of the SARS-CoV-2 Gamma Variant in Complex with the hACE-2 Receptor

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The SARS-CoV-2 virus, since its appearance in 2019, has caused millions of cases and deaths. To date, there is no effective treatment or a vaccine that is fully protective. Despite the efforts made by governments and health institutions around the globe to control its propagation, the evolution of t...

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Bibliographic Details
Main Authors: Arciniega, M. (Author), Cavani, M. (Author), Riofrío, W.A (Author)
Format: Article
Language:English
Published: NLM (Medline) 2022
Subjects:
Adipates
adipic acid
Angiotensin-Converting Enzyme 2
compensatory mutations
coronavirus spike glycoprotein
COVID-19
gamma variant
genetics
human
Humans
metabolism
MM-PBSA
molecular dynamics
Molecular Dynamics Simulation
mutation
Mutation
poly(tetramethylene succinate-co-tetramethylene adipate)
protein binding
Protein Binding
residue specific interaction entropy
SARS-CoV-2
Spike Glycoprotein, Coronavirus
spike protein, SARS-CoV-2
Succinates
succinic acid derivative
VoC’s
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