Molecular Informatics and Design group integrates diverse disciplines of science and engineering in understanding the efficacy and mode of action of drugs and the design and development of advanced materials. Our approach to a research problem is ‘idea centric’ with a clear emphasis on the design phase, adopting modeling and informatics tools.

In our Network Medicine projects, we combine the principles of network sciences, systems biology, proteomics, and synthetic organic chemistry to understand the causes of human diseases, efficacy of treatment options and their mode of action..In our Bionanotechnology projects, we adopt a reductionist approach in understanding the interaction between molecules resulting in the formation of assembled architectures at nano and micro scale, and further employ it in the design of future materials. An information based modeling approach has been employed in the design and characterisation of tumor homing and cell penetrating molecules to test their efficacy as future Drug Delivery vehicles