Confab – generation of diverse low energy conformers
2011
Confab: A Program for Generating Diverse Low Energy Conformers
publication
Author Information
Author(s): O’Boyle NM, Vandermeersch T, Hutchison GR
Primary Institution: University College Cork
Conclusion
Confab effectively generates diverse low energy conformers necessary for various cheminformatics applications.
Supporting Evidence
- Confab generates conformers required for docking and pharmacophore searching.
- The program uses a torsion driving approach to select conformers based on energy and structural distinctiveness.
- Confab is open source and utilizes the Open Babel cheminformatics toolkit.
Takeaway
Confab is a computer program that helps create different shapes of molecules that are low in energy, which is important for drug discovery.
Methodology
Confab uses a torsion driving approach to select low energy and structurally distinct conformers from a systematically generated set.
Digital Object Identifier (DOI)
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