ADL: mismatch between AD4 and vina resuts

Revthi Sanker revthi.sanker at yahoo.com
Thu Jun 20 06:12:51 PDT 2013


Dear all,
I was initially using ADT4 for protein-ligand docking and I got four clusters with the best binding energy(B.E) being -7.0. When I tried using vina, for the same grid box parameters, I obtained a B.E of -9.9 and the position was very different from my AD4 results. why is there a discrepancy between the results of AD4 and vina?how can the binding energy vary so much?
Kindly explain me this issue.
Thanks for your help in advance
Revathi
M.S. Research Scholar
Indian Institute Of Technology, Madras
India


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