Hi everyone,
as the newer version of Autodock Vina 1.2 version released last year (Article AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Fie...
), I was excited to use the newer version of this docking app. Although the authors did not declare any change in the scoring function between Vina 1.2 and 1.1.2 in the latter article, I found that there was a difference between docking pose retrieved from Vina 1.2 to Vina 1.1.2 version using the same configuration parameters (I am doing blind docking).So I am asking for if there is any difference between these two scoring functions? And which is more reliable to conduct a new in silico research? Thank you very much.
Thua-Phong Lam Hi
I hope you doing well
I've seen your docking pose result. Here, I have noticed that your ligand is bound in the active site but the conformations have been changed. So you can consider both results for research purposes.
Waseem Ahmad Ansari thank you for answering, however I am trying to reproduce a result from previously published study using Vina 1.1.2. Although I have put the high exhaustiveness (128), it could not reproduce the result by 1.2.
So it just my question if which one is more reliable because the authors didn't declare any difference between two scoring functions :(
A recently just-released publication pointed out that while AutoDock Vina is faster, AutoDock 4 correlates better with experimental binding affinity.
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