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AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
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PostPosted: Sat Oct 04, 2014 2:29 pm 
Millimolar User
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Joined: Sat Oct 04, 2014 1:11 pm
Posts: 2
I have been using the autodock vina recently and I am not sure
how to compare the docking result based on the vina docking score.
In the paper introducing the vina (Trott O & Olson AJ, 2010),
the authors stated that the scoring function is calculated based on
the distance of atom interactions. To my understanding, if the docking score
is more negative, it means that the interaction of the docking result is more stable.
However, is the stability linear related to the difference of
vina score? That is, is the difference of stability the same between
score -5 and -6 compare to the score -8 and -9.
By the way, I am the new to this field and just start to learn the concept of docking.
Any help would be appreciated.

Institute:National Taiwan University Molecular Cellular Biology Institute
Name:Jimmy Hou

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Translated by MaĆ«l Soucaze © 2009