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. Author manuscript; available in PMC: 2019 Oct 1.
Published in final edited form as: J Mol Recognit. 2018 Jun 3;31(10):e2731. doi: 10.1002/jmr.2731

Figure 1.

Figure 1.

(A) Crystal structure of duplex DNA (rainbow color) containing a cisplatin 1,2-d(GpG) intrastrand cross-link (blue & white molecule), inducing a bend angle of 35° to 40° and local unwinding of the double helix by 25° 37. (B) Schematic depiction of the DNA simulations. (C, D) Schematic depiction of an unbent DNA fragment (C) and a DNA fragment with a bend, β (D). (E) Plot of equation (2); end-to-end distance, R, as a function of the bend angle, β, for a 300 bp DNA fragment.