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Куркумин усиливает связывание АФМ1 с белками МКБ: молекулярно-докинговое исследование
Summary of CB-Dock2 docking results for all binding systems
Binding System | Best Cavity | ΔG (kcal/mol) | Volume (ų) | Binding Type |
Curcumin–AFM1 | 1 | –7.7 | 1548 | Direct |
AFM1–4OXD | 2 | –8.9 | 3842 | Binary |
AFM1–7QFG | 4 | –6.9 | 50 | Binary |
Curcumin–4OXD–AFM1 | 1 | –7.6 | 6144 | Non-competitive |
Curcumin–7QFG–AFM1 | 4 | –6.4 | 50 | Competitive |