Substrate binding affinity prediction on Enzyme Family
-14.11Binding Affinity (EC 1.1.1) (kcal/mol)EnzyGen
Evaluation Results
| Method | Links | ||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| EnzyGenselection=top-5 candidate2024.05 | -14.11 | — | -11.22 | -5.63 | -6.71 | -11.02 | -10.05 | -10.93 | -12.66 | -11.68 | -13.94 | -14.41 | -9.14 | -12.43 | -12.7 | -13.8 | -12.47 | -9.76 | -10.73 | -9.97 | -12.42 | -12.08 | -11.58 | -11.02 | -9.51 | -11.09 | -11.58 | -13.83 | -12.9 | -11.41 | -6.52 | -10.64 | |
| EnzyGenCandidate selection=top-10 candidate2024.05 | -10.49 | — | -10.12 | -5.05 | -5.82 | -10.34 | -8.18 | -10.05 | -10.38 | -11.17 | -11.91 | -11.93 | -8.84 | -10.5 | -11.81 | -12.51 | -11.5 | -9.17 | -9.07 | -9.62 | -12.13 | -11.26 | -10.72 | -10.69 | -8.3 | -8.66 | -11.15 | -13.1 | -11.35 | -11.29 | -5.99 | -10.64 | |
| RFDiffusion+IFCandidate selection=top-10 candidate, Inverse folding model=ProteinMPNN2024.05 | -7.26 | — | -9.36 | -5.43 | -5.7 | -11.15 | -6.65 | -11.45 | -11.2 | -9.33 | -10.88 | -8.84 | -7.74 | -10.02 | -11.6 | -11.66 | -12.9 | -9.6 | -7.51 | -8.7 | -8.82 | -10.89 | -11.41 | -10.07 | -6.43 | -7.72 | -10.07 | -12.27 | -10.87 | -8.08 | -6.14 | -10.46 | |
| RFDiffusion+IFselection=top-5 candidate, Inverse folding model=ProteinMPNN2024.05 | -7.03 | — | -10.27 | -6.43 | -6.7 | -13.24 | -8.42 | -12.59 | -11.36 | -10.01 | -12.74 | -9.8 | -7.99 | -11.9 | -12.3 | -12.82 | -12.9 | -10.65 | -9.15 | -9.7 | -10.11 | -11.35 | -13.1 | -11.57 | -6.88 | -8.09 | -11.07 | -12.54 | -11.45 | -9.16 | -6.64 | -10.55 | |
| ESM2+EGNNselection=top-5 candidate2024.05 | -6.85 | — | -10.44 | -8.46 | -7.82 | -14.01 | -6.97 | -12.04 | -12.65 | -11.8 | -15.14 | -9.34 | -5.87 | -10.01 | -12.65 | -12.2 | -11.43 | -10.23 | -9.34 | -9.77 | -9.75 | -13.48 | -11 | -11.27 | -6.19 | -12.08 | -8.94 | -13.61 | -13.25 | -9.69 | -6.56 | -10.84 | |
| PROTSEEDselection=top-5 candidate2024.05 | -5.99 | — | -9.41 | -5.93 | -5.55 | -11.17 | -6.64 | -9.61 | -11.83 | -8.8 | -11.84 | -8.57 | -6.01 | -8.72 | -11.3 | -12.38 | -12.59 | -10.11 | -7 | -9.2 | -9.68 | -13.02 | -10.12 | -10.76 | -5.53 | -6 | -10.57 | -13.73 | -11.76 | -9.35 | -6.74 | -11.77 | |
| ESM2+EGNNCandidate selection=top-10 candidate2024.05 | -5.38 | — | -9.35 | -7.5 | -6.75 | -12.81 | -8.16 | -11.06 | -10.54 | -9.95 | -13.16 | -8.24 | -5.53 | -9.44 | -11.88 | -12.44 | -10.84 | -8.83 | -8.52 | -8.92 | -8.67 | -9.73 | -10.16 | -10.6 | -5.03 | -8.67 | -8.81 | -10.89 | -12.41 | -8.53 | -5.52 | -9.45 | |
| PROTSEEDCandidate selection=top-10 candidate2024.05 | -4.65 | — | -8.6 | -4.93 | -4.76 | -11.09 | -7.28 | -9.46 | -11.11 | -9.21 | -10.29 | -7.88 | -5.13 | -8.38 | -10.66 | -11.37 | -13.2 | -8.81 | -7.01 | -8.2 | -8.71 | -11.37 | -9.5 | -9.96 | -5.21 | -5.27 | -13.57 | -11.53 | -10.37 | -7.88 | -5.24 | -9.99 |