Selected article for: "binding affinity and decrease affinity"

Author: Quan Li; Zanxia Cao; Proton Rahman
Title: Genetic Variability of Human Angiotensin-Converting Enzyme 2 (hACE2) Among Various Ethnic Populations
  • Document date: 2020_4_15
  • ID: bbn1tfq5_18
    Snippet: The effect of missense on protein-ligand complex can be assessed by various experimental technologies19, but are very time-consuming. The in silico binding free energies calculation can be performed to determine the effects of mutations. Here, the binding free energies between S protein and hACE2 (wild type or mutant) were calculated using the g_mmpbsa (Table 2 ). These two mutations K26R/I468V were both predicted to slightly increase the binding.....
    Document: The effect of missense on protein-ligand complex can be assessed by various experimental technologies19, but are very time-consuming. The in silico binding free energies calculation can be performed to determine the effects of mutations. Here, the binding free energies between S protein and hACE2 (wild type or mutant) were calculated using the g_mmpbsa (Table 2 ). These two mutations K26R/I468V were both predicted to slightly increase the binding free energy and may slightly decrease the binding affinity.

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