DOCK Blaster:Preliminaries

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To use DOCK Blaster you must choose a target structure for docking, and also have some idea of the binding site. You may also have additional information such as actives and inactives. Here we describe several common scenarios, which we hope will give you some useful guidance on how to get started.

Crystal structure, ligand bound

Crystal structure, apo

No crystal structure, but a homology model

No crystal structure, but an NMR structure

No crystal structure, and the homology model is poor quality

I don't have a target structure and do not know how to proceeed

Muliple crystal structures - which one?

I have special information about my target not obvious from its structure

I have experimental information about actives and inactives

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