ADL: Flexible docking efficiency using Vina

raghu bhagavat rag_vocal at yahoo.co.in
Tue Jun 30 09:59:00 PDT 2009


Hi all......
I used Vina for my VS program....and it was done with both normal and flexible docking.......

Both, what i find is that for all the best hits, the energy of normal docking is better(i.e more negative) than flexible docking for the same complex.........

even In terms of the interaction of the docked small molecule with the residues,  normal docking seems to give better results.......

The whole point of introducing flexibility in the residues, is to improve the binding efficiency....

what's your say on this subj ====> Flexiblity vs Normal.....

Also, I want a data-set (examples) ===> that has already been proved better for flexible docking using Vina...



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