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Detail result of the root-mean-square deviation and root mean square fluctuation of selected 5 complexes after 100 ns molecular dynamic simulation study
| Compound name | RMSD | RMSF |
|---|---|---|
| LA | 4.9±1.5Å | 1.5±2.7Å |
| Leucovorin | 5.74±6.1Å | 4.0±6.5Å |
| Selexipag | 3.0±0.3Å | 1.3±0.9Å |
| Pemetrexed | 4.3±1.3Å | 1.4±2.5Å |
| Pralatrexate | 3.1±0.4Å | 1.4±1.0Å |
RMSD=Root-mean-square deviation, RMSF=Root mean square fluctuation, LA=Linoleic acid
