2 Research

(a) A histogram of the CAD values and (b) the cRMSD versus CAD dependence for six sets of pairwise structure comparisons: PDB domains related by non-crystallographic symmetry and solved by X-ray crystallography (red), pairs of the NMR models submitted in one PDB entry (blue), models built by homology for the HPR protein(green), models by homology of CRABP (yellow), unfolded models with preserved secondary structure (violet), extended polypeptide chains (brown), deliberately misfold models (dark green). The N scale for the NMR set have been divided by 20 to show the distribution on the same plot.

The creation of tools is a critical step towards the development and evolution of any science, and it is no different in our field. The protein structural and genomic sciences, two big and virtually unexplored research lines, demand very particular, specifically designed tools. This is part of our work - provision of new and efficient tools to uncover the wealth of biological information hidden behind the data we and others gather.

• Sequence alignment and signal detection
• Protein modeling and design
• Modeling by homology
• Protein electrostatics and solvation
• Monte-Carlo simulations
• Protein 3D model accuracy evaluation
• Detailed full-atom energy calculations
• High-quality molecular visualization
• Molecular animations