Structure of β-lactamase
Electrostatic surface of β-lactamase bound with Tebipenem
Two domains of β-lactamase divided by Omega loop (blue)
Salt bridges in Carbonic anhydrase
Zinc binding site in Carbonic anhydrase
Electrostatic surface of α1β1 integrin bound with Collagen
Molecular interactions between α1β1 integrin and Collagen
C-terminus domain of ACE2 bound with AngiotensinII with the coordination of zinc
Structure alignment between the open and closed conformation of αXβ2 integrin in ligand bound and ligand free form respectively
Protein-protein complex between α2bβ3 integrin and Antibody fragment (Fab).
Molecular interaction at the catalytic loop of Aprotinin with Dengue NS2B-NS3 protease
Molecular interaction at the catalytic loop of Textilinin with Dengue NS2B-NS3 protease
We apply concepts of mathematics and computer science to improve the existing tools and build new applications for analysis. We have already developed a PDB parser in MAT which works faster than currently available parsers. The relevance of these applications is highly apt and crucial for interpretation of results. Some of the applications are listed with their approach. Lastly, a number of new applications are developed to analyze the structural and functional aspects of the biological structures. These are made by implementing inter-disciplinary algorithms and by use of various task oriented data-structures such as kd-tree, octree and 3D grids.