Density functional theory computation of the binding free energies between various mutations of sars-cov-2 rbd and human ace2: molecular level roots of the contagiousness

HIGHLIGHTS

• who: Serhan Yamacli from the Nuh Naci Yazgan University, Department of Electrical-Electronics Engineering, Kayseri, Turkey have published the paper: Density functional theory computation of the binding free energies between various mutations of SARS-CoV-2 RBD and human ACE2: molecular level roots of the contagiousness, in the Journal: (JOURNAL)
• what: Original strain and various mutations of the SARS-CoV-2 spike_protein-human ACE2 complexes are considered in this study and their binding free energies are obtained and compared using density functional theory calculations.
• how: The results of this study is expected to . . .
  

   

  

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