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 data.

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 interactions;
  • 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 neighbours.


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