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AutoDock Tutorial

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Sampling Hyperspace<br />

� Say we are hunting in D-dimensional hyperspace…<br />

� We want to evaluate each of the D dimensions N<br />

times.<br />

� The number of “evals” needed, n, is: n = N D<br />

∴ N = n 1/D<br />

� For example, if n = 10 6 and…<br />

� D=6, N = (10 6 ) 1/6 = 10 evaluations per dimension<br />

� D=20, N = (10 6 ) 1/20 = ~2 evaluations per dimension<br />

� Clearly, the more dimensions, the tougher it gets.<br />

12/08/11 Using <strong>AutoDock</strong> 4 with ADT 18

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