ADL: finding the best conformation

Jaimin Shah jaimin at iitb.ac.in
Sun Feb 6 21:32:55 PST 2005


The site of the largest cluster having the lowest energy should be
selected. Subsequently, focus a grid of lower spacing on the predicted
binding site and carry out the iterations again.

> Hai,
>
> Can somebody please let me know the criteria based on which we shortlist
> the best conformation of all the conformations we get?
>
> Thank you,
>
> Yours sincerely,
> satya
>
>
>
> ..............
> "First they ignore you. Then they laugh at you. Then they fight you. Then
> you win" - M.K.Gandhi
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>


Sincerely,
Jaimin Shah
Junior Research Fellow
Dr. Dulal Panda's Laboratory
School of Biosciences & Bioengineering
I.I.T. Bombay



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