Table 1a.
Drug Name | Binding Energy (kcal/mol) | Involved Amino Acid with Position |
---|---|---|
Paritaprevir | -10.9 | R131, K137, T169, A194, T196, D197, K236, Y237, N238, L286, L287, D289 |
Glecaprevir | -9.3 | T199, K236, Y237, L271, G275, M276, N277, G278, L286, L287 |
Nelfinavir | -8.7 | T25, T26, H41, M49, F140, L141, N142, S144, H163, H164, M165, E166, D187, R188, Q189 |
Simeprevir | -8.6 | K5, Q12, K137, T199, N238, L272, L286, L287, D289 |
Lopinavir | -8.4 | Q107, Q110, V202, E240, P241, T243, H246, I249, P293, F294 |