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4.2.2 Box centered on Hetero using Autodock Vina
Mario Sergio Valdés Tresanco edited this page Oct 7, 2020
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When using this option, it is assumed the receptor structure contains a ligand that is going to be used for determining the box position. This is a useful way to define the box position in redocking experiments or when aiming at the prediction of the complex structure of a similar ligand, presumably with the same binding mode.