ADL: Treatment of Cyclic Substances by AutoDock

Edmund R Marinelli edmundmarinelli at gmail.com
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 .   



--
Sent from: http://autodock.1369657.n2.nabble.com/




More information about the autodock mailing list