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MM-GBSA Scoring of GTP molecule. MM-GBSA scoring was used to determine the torsional strain of each KRAS protein bound GTP molecule. WT steric strain value of 10.71, which was more favorable in comparison to the mutants. KRAS variants are listed with each of their respective torsional angle values.
| KRAS Protein Variant | GTP MM-GBSA Torsional Strain |
|---|---|
| Wildtype | 10.71 |
| G12C | 14.96 |
| G12D | 18.27 |
| G12V | 15.41 |
| G13D | 15.16 |
| G12A | 13.22 |
| G12S | 15.67 |
| G12R | 15.87 |
