Page - 122 - in Charge Transport in DNA - Insights from Simulations

CTinMicrohydratedDNA B.4 ESPInducedbyDifferentGroupsofAtoms TableB.8: ESP(inV) inducedbythedifferentgroupsofatoms, insimulationsofDNA indifferent environments.Meanvalues (± std. deviations) over15nsMD trajectories. DNA Env. System DNA Water Na+ AA Full 0.49±0.29 −25.31 7.76 18.05 Dry1 0.10±0.28 −26.61 1.01 25.70 Dry2 0.20±0.30 −28.41 0.33 28.28 AG Full 0.52±0.30 −22.19 6.70 16.01 Dry1 0.10±0.30 −23.81 0.60 23.31 Dry2 0.10±0.29 −25.10 0.67 24.52 AT Full 0.47±0.29 −22.29 7.29 15.47 Dry1 0.04±0.28 −23.80 1.07 22.77 Dry2 −0.01±0.31 −25.85 0.28 25.56 GG Full 0.61±0.31 −24.26 6.16 18.71 Dry1 0.25±0.30 −26.48 0.37 26.37 Dry2 0.21±0.30 −27.84 0.54 27.50 GC Full 0.51±0.31 −22.60 6.45 16.67 Dry1 0.11±0.30 −24.04 0.75 23.40 Dry2 0.17±0.30 −24.49 0.45 24.20 GT Full 0.50±0.30 −25.25 6.91 18.85 Dry1 0.11±0.29 −26.91 0.76 26.25 Dry2 0.10±0.29 −28.19 0.84 27.45 122