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Free energy (MM/GBSA) analysis for the interaction of SRC, and HSP90AA1 with Apigenin, and Isozeylanone, respectively.
| System | ΔG or ΔGBind |
ΔGCoulomb | ΔGCovalent | ΔGH-bond | ΔGSA or ΔGSol_Lipo |
ΔGSolv or ΔGSolGB |
ΔGPacking | ΔGvdW |
|---|---|---|---|---|---|---|---|---|
| SRC-Apigenin | −45.58 | −18.22 | 6.91 | −2.11 | −15.70 | 19.58 | −0.49 | −35.55 |
| HSP90AA1 Isozeylanone | −49.85 | −31.73 | 2.89 | −3.03 | −8.09 | 30.21 | −1.71 | −38.39 |
