ADL: computing energy of protein ligand complex without docking

Kalidas Y kalidas.y at gmail.com
Sat Aug 25 09:45:39 PDT 2007


Dear All
 I would like to know if it is possible in Autodock-4, to evaluate energy of
a protein-ligand complex 'as it is' without
actually performing docking. My apologies if this query is a repetition and
has already been mentioned in the new user-manual or has been discussed
elsewhere in the ADL-discussion forum.

 I would be grateful if anyone could let me know how this can be
accomplished in Autodock-4.

-- 
Thanking You
With Regards
Kalidas Y

http://ssl.serc.iisc.ernet.in/~kalidas

"Love will warn you against advising another to do something that you,
yourself, do not want to do - Baba"

"You May Not Always Oblige, You Can Speak Obligingly." - Baba


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