ADL: Treatment of Cyclic Substances by AutoDock

Edmund R Marinelli edmundmarinelli at
Thu Oct 1 21:06:38 PDT 2020

How are cyclic substances treated with respect to generation of conformers ,
by AutoDock and AutoDock Vina.  As torsional angles are limited due to the
constraints of the cyclic structure , is there an algorithm that accounts
for that?  The question is relevant to relatively small cycles but also to
cyclic peptides, of which many interesting ones are from 8-20 residues .   

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