Re: CCL:AUTODOCK 3.0

["Miss L.M.P. Galvao" <l.galvao |-at-| ic.ac.uk>]

Hi!
 I am trying to dock a few furazan derivatives into the active site of
 P450-BM3.
 As a control I am using the natural enzyme subtrate palmitoleic acid and I
 am  trying to reproduce its original location in the crystal structure
 using autodock 3.0.3.
 I have tried only a genetic algorithm (LGA) and although I generated
 solutions that
 closely resemble the position of the crystal structure, I have failed to
 obtain a location idental to that of the crsytal structure.
 Do you know how I could overcome this with a genetic algorithm?
 Looking forward to hear from you.
 Leonor Galvao