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Security Area Management Unit

The maps embody atom-specific affinities and do not embody electrostatics and charge-based desolvation. AutoSite computes maps masking the whole receptor, and selects high affinity factors from every map primarily based on probe-specific affinity cutoffs. It then merges the three sets of high affinity points into a composite map by choosing the minimal worth at every grid position (Fig. 1) . The chosen grid factors are then clustered to define potential binding websites. Here, we current AutoSite, a new energy-based method for figuring out ligand-binding websites and predicting potential pseudo-ligand in every of …