Review Ligand Unbinding Search
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Ligand Unbinding Search

Publisher: Khoa Nguyen

Updated: March 13, 2019


Latest versions

Windows: 0.7.3 on SAMSON 0.7.0

Linux: 0.7.3 on SAMSON 0.7.0

Mac: 0.7.3 on SAMSON 0.7.0

Free element

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Ligand Unbinding Search

Publisher: Khoa Nguyen

Updated: March 13, 2019


Latest versions:

- Windows: 0.7.3 on SAMSON 0.7.0

- Linux: 0.7.3 on SAMSON 0.7.0

- Mac: 0.7.3 on SAMSON 0.7.0

Find ligand unbinding pathways within minutes with the new ART-RRT method.

Note: for an extended version, please refer to the Ligand Path Finder element.

Documentation

Please refer to the tutorial on the Ligand unbinding pathway search.

References

If you use this app, please cite:

M. K. Nguyen, L. Jaillet and S. Redon. ART-RRT: As-Rigid-As-Possible exploration of ligand unbinding pathways. Journal of Computational Chemistry. Volume 39, Issue 11, April 30, 2018, Pages 665-678.