Welcome to the Subbu's Group



Research Focus

We are a group of chemists and biologists who like to delve into diverse chemical and biological phenomena and provide meaningful insights with the aid of theoretical tools ranging from ab initio and density functional theory (DFT) calculations to molecular dynamics simulations.

Our group focuses on many scientifically exciting and computationally challenging issues in core areas like the characterization of non-covalent interactions in various molecular clusters and self-assemblies, application of DFT for quantitative structure–activity relationship (QSAR) and toxicity prediction, reaction mechanism, understanding the interrelationship between sequence, structure, stability and function of various types of collagen, understanding the structure, dynamics and spectra of metalloproteins and metalloenzymes, development of force field parameters for metalloproteins and the design and development of functional biomimetic systems.

The group activities constantly get updated with the contemporary developments in the scientific arena. Hence, apart from the core areas, the group is actively engaged in exploring at the atomic and molecular level the interaction of chemical molecules and biological macromolecules with nanomaterials, designing functional materials for energy storage, organic light emitting devices (OLED), solar harvesting and database development.

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© 2015 Dr.Subramanian's Research Group.