Chemical Computing releases new
version of PSILO protein structure database
9 Nov 2010
Chemical Computing Group (CCG) has released version 2010.09 of
PSILO, a protein structure database system that allows for an
integrated repository of proprietary and non-proprietary structural
With PSILO, experimental and computational macromolecular structural
data can be registered, annotated, tracked and shared across
organizational departments. PSILO provides powerful bioinformatics
and cheminformatics searches with analysis and visualization
capabilities through a standard web browser interface.
Some of the new and enhanced capabilities in PSILO 2010.09 are:
- 3D searches for protein-ligand and protein-protein
- faster pocket similarity searching; and
- automatic protein kinase annotation to identify the hinge,
HRD motif, G-loop, etc, regions
PSILO’s Google-like search bar allows researchers to apply
multiple combinations of text, sequence, 2D substructure and 3D
geometry to their search criteria.
Paul Labute, president and CEO of CCG, said, “With PSILO’s new
powerful 3D search, researchers can now query structural data
directly from standard sketchers, facilitating searches for common
contacts and other motifs in the protein structure database.
"PSILO can search for and score similar binding pockets in
dissimilar proteins, allowing organizations to identify cases of
convergent evolution and off-target binding, recognizing potential
side effects or new possible therapeutic areas."
Another addition in the 2010.09 version is the automatic
performance of bioinformatics annotations for all deposited
structures: assignment of domain identifiers, Gene Ontology terms,
SCOP classes, antibody CDR regions, kinase domain regions and BLAST