Research Article
[Retracted] Atomic Scale Interactions between RNA and DNA Aptamers with the TNF-α Protein
Table 3
Binding free energy calculations of the aptamer-protein interactions. (kJ/mol).
| | Simulation systems | Nonpolar binding free energy | Polar binding free energy | Total binding free energy | | Van der Waals energy | SASA energy | Electrostatic energy | Polar solvation energy |
| | TR1 | -475.247 | -48.14 | -7291.523 | 74.127 | -7740.783 | | TR2 | -287.586 | -25.481 | -5761.594 | 63.842 | -6010.819 | | TD1 | -362.815 | -29.648 | -5634.128 | 41.479 | -5985.112 | | TD2 | -259.483 | -18.87 | -4861.243 | 48.275 | -5091.321 |
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