when assess the drugability of the pocket, the enclosure is an important parameter. how to calculate the degree of enclosure of the pocket ?
gps_se_h(enclosure): t he portion o f t he lid of the p oc ket compared to the hull
the ration of exposed hull grids to the hull grids
refer: DoGSiteScorer
how to calculate the hydrophobicity of the drug pocket? The pocket of the protein was created based on the grids. SiteMap in schrodinger
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