My main interest is to understand structure-function relationship of biological macromolecules, particularly nucleic acids. In this regard we concentrate on available crystallographic data, carry out molecular dynamics simulation and ab initio quantum chemical calculations to understand structural stabilization of nuceic acid bases and recognition of nucleic acid by other ligands. In order to understand different structural features of nucleic acids, we have developed few softwares, such as NUPARM, BPFIND, PyrHBFind, etc. Using some of these these tools, we have classified structures of different non-canonical base pairs appearing in RNA crystal structures.
Special Interest: Structural Bioinformatics Application development |
