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Summary of binding energy scores obtained from PyRx and Glide XP for the identified top four compounds.
| ZINC Compound ID | Pyrx docking score (kcal/mol) | Glide XP Score (kcal/mol) | 2D Structure |
|---|---|---|---|
| ZINC78453217 | − 10.1 | − 9.77 |
|
| ZINC70875226 | − 10.6 | − 9.34 |
|
| ZINC64890902 | − 9.8 | − 10.0 |
|
| MRTX1133 | − 11.4 | − 10.92 |
|
