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Glossary Definitions

Molecular Docking
Glossary of terms.


Docking LoG file; the out file format from AutoDock
Docking Parameter File; the input file format used by AutoDock.
Grid LoG file; the file format output by AutoGrid.
Grid Parameter File; the input file format used by AutoGrid

Molecular Docking

Cross Docking #
The process of taking a series of complexes of ligand-receptor pairs, and docking every ligand to every receptor. This can be interesting to study the specificity of the receptors and ligands, and when the receptors are all the same protein but in different conformations, this can yield valuable information about the effects of induced fit upon binding.
Redocking #
The process by which a ligand taken from the structure of a complex of it with a receptor, and docked to the "induced-fit" form of the receptor. This is often performed to verify that the docking parameters specified in the input file for the docking method are reasonable, and able to recover a known complex's structure and interactions.

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