ADL: MW bias

Douglas Houston dhouston at staffmail.ed.ac.uk
Wed Apr 15 08:23:12 PDT 2009


After reading those references (thanks Mark) it does indeed seem that N^1/3 isn't that useful for normalizing Autodock scoring due to the fact that Autodock already penalizes large flexible but not large rigid molecules.

Although on the other hand, perhaps that's fine and large flexible molecules should be penalized twice?

The MASC technique seems quite powerful, although rather computationally expensive.

Does anyone have any more advice on this?
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