hnlab / MetalDock

Dock organometallic compounds to proteins/DNA/biomolecules

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MetalDock

MetalDock is a versatile open-source software docking tool designed to facilitate the docking of metal-organic complexes for various transtions metals with proteins, DNA, or other biomolecules. For detailed instructions on how to utilize MetalDock, we refer you to our documentation page.

Citation

If you decide to use MetalDock for any project, please cite the following paper:

https://doi.org/10.1021/acs.jcim.3c01582

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Dock organometallic compounds to proteins/DNA/biomolecules

License:MIT License


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Language:Python 100.0%