Addition of polar hydrogens to the unbound structures before ranking by ZRank
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5.0 years ago

I have generated protein-protein decoys using ZDock and I am trying to rank them using ZRank scoring function. I was not clear about what was mentioned in the ZRank read-me file.

After generating the decoys using ZDock, do I add polar hydrogens to all of the decoys or only the unbound structures ?

From what is mentioned in the Readme file, I assume that polar hydrogens need to be added only to the unbound structures. However could anyone confirm this?

ZRank ZDock Scoring Funciton Docking • 811 views

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