BALL-Project / ball

The Biochemical Algorithms Library
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How to calculate the hydrophobicity of the drug pocket? #568

Closed autodataming closed 8 years ago

autodataming commented 9 years ago

how to calculate the hydrophobicity of the drug pocket? The pocket of the protein was created based on the grids. can you give me some suggestions?

The software DoGSite can generate 40 global descriptors ,but I can't download it.

The recently published pocket detection algorithm DoGSite is used to calculate over 40 global descriptors per target pocket. With the aid of a shrinkage discriminant analysis, a small set of descriptors is selected encoding important

properties of druggable pockets.

autodataming commented 8 years ago

I got it