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| HLA-B molecule | Possible observed binding energy (Kcal mol−1) |
|---|---|
| HLA-B*15:01 | −7.14 |
| HLA-B*15:02 | −7.89 |
| HLA-B*15:08 | −7.10 |
| HLA-B*15:11 | −6.82, −6.18 |
| HLA-B*15:21 | −6.61 |
Molecular docking was performed between CBZ and ten possible protein structures of each HLA-B molecule obtained from an MD simulation. The binding energy was calculated for each case of CBZ bound to the antigen-presenting area of the protein.
