ADL: binding ability

Vinay Kumar ksvinaykumar at
Mon Mar 3 20:44:54 PST 2008

Hello all,
I have been using autodock for sometime now. my query is simple, if i
have a ligand, that needs to be covalently bound to a cysteine or any
other amino acid, how can i predict it using autodock? is there any
other tool which i can use wherein i can input the binding mode and
ascertain if a covalent bonding occurs? how would i be able to
distinguish complete inhibition and competitive inhibition, or
correlate the same with energy parameters??

Please acknowledge,


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