Ligand Unbinding Search

OneAngstrom

Updated: Mar 13, 2019


971
274
1

Free extension

Free
No credit card required
Add

Ligand Unbinding Search

OneAngstrom

Updated: Mar 13, 2019


971
274
1
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.
Ligand Unbinding Search is an extension for SAMSON,
the integrative platform for molecular design.

To use Ligand Unbinding Search:

1. Create your free account and choose a molecular design plan
2. Download and install SAMSON on your computer
3. Come back to this page to add the extension to your account


When you restart SAMSON, the extension will be automatically installed
and will be usable directly from within SAMSON.

Related extensions

P-NEB
Protein-Ligand Interaction Analyzer
PDB trajectory loader
FIRE state updater
Interactive Ramachandran Plot
Pathlines
Selection statistics
Molecular Motif Grafter
Export along paths
Rotamers editor