Subject: FREE ENERGY-MIC VALUES-AUTODOCK3-INHIBITION CONSTANTS.

From: rabia rabia <[email-masked]>
Date: Wed, 11 Jul 2001 19:43:46 -0700 (PDT)

hi friends!

i have calculated the estimated free energies of
binding, inhibition constants of different ligands by
docking them into the enzyme with the help of program
AUTODOCK.  
  for some ligands i have the experimental MIC values.
i want to correlate my results with these experimental
MIC values. any suggestion of how i can get the
theoretical mic values from free energy or inhibition
constants.

another ?
the program autodock3 gives inhibition constant
values, any suggestion of how i can rank my ligands
with respect to the inhibition constant...or how i can
analyze it....

Thanx in advance for suggestions.

rabia.
UNIVERSITY.

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