Dock

Software Summary

Mesabi

Default Module: 

6.5

Other Modules Available: 

6.5

Last Updated On: 

Wednesday, December 7, 2016

Itasca

Default Module: 

6.5

Other Modules Available: 

6.5

Last Updated On: 

Wednesday, December 7, 2016

Lab

Default Module: 

6.5

Other Versions Available: 

6.5

Last Updated On: 

Wednesday, December 7, 2016

Last Updated On: 

Wednesday, December 7, 2016

Support Level: 
Secondary Support
Software Access Level: 
Open Access
Software Categories: 
Drug Discovery
Molecular Modeling and Simulation
Synthesis and Design
Software Description
Software Description: 

DOCK addresses the problem of "docking" molecules to each other. In general, "docking" is the identification of the low-energy binding modes of a small molecule, or ligand, within the active site of a macromolecule, or receptor, whose structure is known. A compound that interacts strongly with, or binds, a receptor associated with a disease may inhibit its function and thus act as a drug. Solving the docking problem computationally requires an accurate representation of the molecular energetics as well as an efficient algorithm to search the potential binding modes.

Software Documentation

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