Calculated potential energy of interaction (ΔE) and free energy of hydration (ΔG) for the interaction of Hz with CD9
| Compounds | Full-length protein CD9 (6K4J) | LEL fragment of CD9 (6Z1V) | ||
|---|---|---|---|---|
| ΔE (kcal/mol) | ΔG (kcal/mol) | ΔE (kcal/mol) | ΔG (kcal/mol) | |
| Hz-A | –37.00 | –16.90 | –36.00 | –18.30 |
| Hz-B | –39.20 | –19.00 | –43.30 | –18.20 |
GV: Visualization, Software, Data curation. CB: Conceptualization, Investigation, Visualization, Writing—original draft, Writing—review & editing.
The authors declare that they have no conflicts of interest.
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All relevant data is contained within the manuscript.
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© The Author(s) 2023.