Ligand | Score | ΔGHB | ΔGLip | ΔGRot | S(bar) | ΔGBind | RMSD (Å) |
GMDSe6 | 97.02 | −30.26 | −20.35 | 7.13 | 8.00 | −40.96 | 0.55 |
GMDSe7 | 96.44 | −29.52 | −20.18 | 7.12 | 8.00 | −40.06 | 0.59 |
GMD | 95.88 | −30.19 | −19.76 | 7.78 | 8.00 | −39.65 | 0.40 |
GMDSe8 | 95.63 | −27.59 | −19.96 | 7.70 | 8,00 | −37.33 | 0.60 |
GMDSe5 | 93.88 | −26.75 | −21.14 | 6.33 | 8.00 | −39.04 | 0.95 |
GMDSe2 | 93.50 | −25.65 | 20.09 | 7.13 | 6.00 | −38.09 | 0.52 |
GMDSe4 | 92.64 | −27.67 | −19.69 | 7.79 | 8.00 | −37.06 | 0.59 |
GMDSe9 | 90.94 | −26.86 | −19.16 | 7.70 | 8.00 | −35.80 | 0.52 |
GMDSe3 | 86.08 | −26.43 | −19.42 | 4.99 | 8.00 | −38.34 | 0.72 |
GMDSe1 | 81.75 | −19.79 | −22.32 | 7.70 | 8.00 | −31.91 | 0.46 |