File Name : supplementary fig. 1.tif

Caption : supplementary fig. 1. the most energetically favorable binding structure of mk-4827–dna complex generated from the intercalative binding mode. the base pairs were combined with mk-4827 by hydrophobic forces (green line) and hydrogen bonds (dashed lines) at the middle part of dna.

File Name : supplementary fig. 2.tif

Caption : supplementary fig. 2. the most energetically favorable binding structure of mk-4827–dna complex generated from the groove binding mode. the base pairs were combined with mk-4827 by hydrophobic forces (green line) and hydrogen bonds (dashed lines) at the bottom part of dna.

File Name : supplementary fig. 3.tif

Caption : supplementary fig. 3. 2d diagrams showing the binding of mk-4827 to dna at different time points. the diagrams generated using the ligplot software.