Table 2 Free energy perturbation and docking score data for our sample of 6 GNNGNNGNN target DNA bound to Zif268 protein sequence.
From: A theoretical investigation of DNA dynamics and desolvation kinetics for zinc finger proteinZif268
Target DNA sequence 5'-3' | dG Solvation (kcal/mol) | Docking Score | Protein sequence |
|---|---|---|---|
GTTGTTGTT | -1742.44 ± 49.88 | -117.87 | RER RHR RER |
GTAGTAGTA | -1817.5 ± 48.61 | -125.75 | RER RHR RER |
GATGATGAT | -1905.5 ± 48.79 | -124.05 | RER RHR RER |
GAAGAAGAA | -1952.35 ± 340.75 | -114.05 | RER RHR RER |
GCCGCCGCC | -5150.62 ± 137.57 | -129.22 | RER RHR RER |
GGCGGCGGC | -5156.8 ± 137.39 | -131.01 | RER RHR RER |
GGGGGGGGG | -5411.88 ± 141.45 | -150.34 | RER RHR RER |
GCGGCGGCG | -5460.13 ± 143.252 | -134.4006 | RER RHR RER |