Geomfinder 2.0 is an enhanced version of our previous algorithm for the discovery of conserved 3D patterns among protein structures . Important improvements have been incorporated:
- Allows to compare quaternary structures.
- Allows to compare a list of pairs of structures.
- Allows to know how druggable is the zone where similar 3D patterns were found.
- The execution time has been significantly reduced (185x speedup at best compared to previous version), allowing the exploration of larger number of quaternary structures in a reasonable amount of time.
- 32 Intel(R) Xeon(R) CPU E5-2683 v4 @ 2.10GHz with Hyper-Threading (64 threads total).
- 252 GB RAM.
Gabriel Nuñez-Vivanco, Alejandro Valdés-Jiménez, F. B. M. R.-P.
Geomfinder: a multi-feature identifier of similar three-dimensional protein patterns: a ligand-independent approach.
Journal of Cheminformatics (2016).
Web site: http://geomfinder.appsbio.utalca.cl/