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QuickVina

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Inherits both the speed of QVina 1 and the reliability of the original Vina. The efficacy of QVina 2 on the core set of PDBbind 2014 was tested. With the default exhaustiveness level of Vina (i.e. 8), a maximum of 20.49-fold and an average of 2.30-fold acceleration with a correlation coefficient of 0.967 for the first mode and 0.911 for the sum of all modes were attained over the original Vina.

QuickVina specifications

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Information

Unique identifier	OMICS_07603
Name	QuickVina
Software type	Package/Module
Interface	Command line interface
Restrictions to use	None
Operating system	Unix/Linux
Programming languages	C++
License	Apache License version 2.0
Computer skills	Advanced
Version	2.0
Stability	Stable
Maintained	Yes

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Documentation

Issues: https://github.com/aalhossary/qvina/issues

Maintainer

Amr ALHOSSARY <>

Publications for QuickVina

Fast, accurate, and reliable molecular docking with QuickVina 2.

2015 Bioinformatics

PMID: 25717194

Amr ALHOSSARY

Amr ALHOSSARY

Amr ALHOSSARY

Amr ALHOSSARY

Amr ALHOSSARY

Amr ALHOSSARY

Amr ALHOSSARY

Amr ALHOSSARY

QuickVina: accelerating AutoDock Vina using gradient-based heuristics for global optimization.

2012 IEEE Trans Comput Biol Bioinform

PMID: 22641710

QuickVina institution(s)

School of Computer Engineering, Nanyang Technological University, Singapore

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