ADL: Autodock failing docking
dmer018 at aucklanduni.ac.nz
Mon Jun 1 13:27:05 PDT 2009
I tried to dock a small molecule in the active site of an enzyme using
After the repositioning of the small molecule in the binding pocket of the
enzyme I followed the tutorial for autodock 4.0 given on the website.
However, at the end of the calculation with autodock4 all the energies for
each conformation are the same (+0.49 Kcal/mol) and when I try to visualize
the conformations they disappear from the initial position and don't appear
anymore in the active site of the enzyme where I initially positioned them.
Please, can anyone help me to understand why and how I can solve this
Thanks for any help, it would be really appreciated.
More information about the autodock