Chemical Computing Group (CCG) has launched a new version of its protein structure database system - Psilo 2011.09.
Psilo has a Google-like search bar in which multiple search criteria, such as combinations of text, sequence, 2D substructure and 3D geometry specifications are expressed.
In Psilo 2011.09, new statistical analysis tools are available to demonstrate the significance of defined 3D geometric constraints within PDB and in-house structural data.
In Psilo 2011.09, metal ions are treated as ligands making it possible to visualize ligand interaction diagrams for metals and to perform 3D/2D metal ion searches.
Non-standard amino acids can also be searched.
Psilo 2011.09 ability to select reference orientations aids scientists to compare project structures, and helps them in identifying relevant interactions to be considered in drug development.
Chemical Computing Group president and CEO Paul Labute said the ability to understand the statistical relevance of protein-ligand or protein-protein interaction motifs using scatter plots, histograms, or sorting by constraint values will allow researchers to make more informed decisions about critical interactions and to facilitate drug design.