Pocket Alignment in Relation to Identification of Substrates


Perl script used to extract ligand binding pockets. To use it, you have to add your own path for VMD application in the $vmd variable.

A new protein binding pocket similarity measure based on comparison of 3D atom clouds: application to ligand prediction

B. Hoffmann *, M. Zaslavskiy *, J.P. Vert and V. Stoven

Mines ParisTech (CBIO,CMM), INSERM U900, Institut Curie, 35 rue Saint Honore, Fontainebleau

F-77300, France. *co-first authors

Contact: click here

Downloads :

The archive contains source code of the method described in the article

To use Pocket_extractor, you need to get VMD.

Links :

Centre for Computational Biology : click here

Mines ParisTech : click here

ArXiv : click here