Target: Difference between revisions
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In the context of [[Virtual screening]] and [[Molecular docking]], the target is the macromolecule to which you wish to dock small molecules, and for which you seek new [[ligands]]. If an [[X-ray crystal structure]] of the target is available, that is often the preferred model for docking. However, structures from [[comparative modeling]], [[NMR]], and even [[manually curated models]] may be useful, particularly if no relevant crystal structure is available. | In the context of [[Virtual screening]] and [[Molecular docking]], the target is the macromolecule to which you wish to dock small molecules, and for which you seek new [[ligands]]. If an [[X-ray crystal structure]] of the target is available, that is often the preferred model for docking. However, structures from [[comparative modeling]], [[NMR]], and even [[manually curated models]] may be useful, particularly if no relevant crystal structure is available. | ||
[[Category:DOCK Blaster]] | |||
[[Category:Jargon]] | |||
Revision as of 20:37, 18 September 2007
In the context of Virtual screening and Molecular docking, the target is the macromolecule to which you wish to dock small molecules, and for which you seek new ligands. If an X-ray crystal structure of the target is available, that is often the preferred model for docking. However, structures from comparative modeling, NMR, and even manually curated models may be useful, particularly if no relevant crystal structure is available.