Hydrogen bonds between hTopIB and DNA.

Hydrogen bonds between hTopIB and DNA present in either the binary or ternary complex trajectory for at least 85% of sampling (with the exception of the last bond between the drug and the guanine residue in position +1 on the cleaved strand).Wm) A water molecule capable of hydrogen bonding is present at least in 50% of the analyzed frames.W) The indicated value refers to a water mediated hydrogen bond since a direct bond is present in less than 85 of analyzed frames.