Figure 1
RMSDs with respect to the starting structures in the simulations of polyamide + [Cu(BPA)OOH] + -DNA (polyamide + [Cu(BPA)OOH] + -DNA (black), polyamide + [Cu(BPA)OOH] + (blue), and DNA alone (magenta)), RDF curves of the distal O d atom of OOH-C1'H atom(pink)/C4'H atom (navy) of sugars, probability distributions (the histogram bin width of 0.1 Å), and integration plot of probabilities of O d -C1'H (pink) and O d -C4'H (navy) distances: (A), (C), (E), (G) for hairpin polyamide + [Cu(BPA)OOH] + -d(AATATCCACCTGCA) 2 (HPD-BPA) and (B), (D), (F) for cyclic polyamide + [Cu(BPA)OOH] + -d(CGCTAACAGGC) 2 (CPD γ -BPA).