National Institute of Technology, Durgapur
Department of Biotechnology · Established 2019
Structural and computational study of protein and nucleic acids and the interactions between them.
About the laboratoryRotate on desktop for full interaction
The Computational and Structural Biology Laboratory was established at the Department of Biotechnology, National Institute of Technology, Durgapur, in 2019. Our research focuses on understanding the structural and functional relationships that govern protein and nucleic acid, using tools from computational biology, bioinformatics, and biophysics. We work extensively on the structural analysis of intrinsically disordered regions in proteins, the sequence- and structure-based characterization of small RNAs, and the molecular architecture of protein–RNA recognition sites.
Our work combines computational modeling, machine learning, and structural bioinformatics to probe binding hot spots, hydration patterns, and interaction interfaces that determine how proteins recognize and bind nucleic acids. Through the development of predictive servers and structural benchmarks, we aim to contribute tools and insights that advance the broader understanding of macromolecular interactions.
Dr. Amita Barik
Assistant Professor
Department of Biotechnology
National Institute of Technology, Durgapur
Joined the Institute in 2019
Dr. Amita Barik received her Ph.D. in Computational Biology from IIT Kharagpur, following a B.Sc. in Botany (Honours) from S.B. Women's College, Cuttack, and an M.Sc. in Bioinformatics from BIT Mesra, Ranchi, where she graduated top of her class. She subsequently worked as a Scientist II at the Biomedical Informatics Centre, National Institute of Cholera & Enteric Diseases, Kolkata, and as a Postdoctoral Scholar in the Department of Computer Science at Virginia Commonwealth University, USA. She joined the Department of Biotechnology, National Institute of Technology, Durgapur, in 2019, where she currently serves as Assistant Professor. Her research interests span computational biology, macromolecular interactions, and RNA bioinformatics, with particular focus on protein–RNA recognition, intrinsically disordered protein regions, and the structural and physicochemical basis of biomolecular binding.
Research in the laboratory sits at the intersection of computational biology, macromolecular interactions, and RNA bioinformatics. We study how proteins recognise and bind nucleic acids, the part played by intrinsically disordered regions in these assemblies, and the sequence and structural features that set functional small RNAs apart. The work draws on structural bioinformatics, molecular modelling, and machine learning, and produces benchmarks and web servers alongside its analyses.
This work characterises the molecular detail of how proteins recognise and bind RNA. Using non-redundant sets of high-resolution complex structures, the laboratory has analysed the architecture of protein–RNA recognition sites, the distribution of binding hot spots, and the role of ordered water at these interfaces. It also contributed a protein–RNA docking benchmark for the systematic evaluation of structure-prediction methods.
Here the focus is the structural and functional role of disordered regions in proteins, including those within protein–protein and protein–nucleic acid complexes. The approach pairs sequence-based prediction of disorder and disorder function with structural analysis of bound and unbound states. This theme was the subject of the laboratory's DST-SERB sponsored project.
This theme compares the sequence- and structure-based features that distinguish small RNAs from other RNAs of bacteria, and builds computational resources for the community. Outputs include comparative feature analyses and web servers for examining RNA and protein–RNA interfaces.
Bioinformatics resources developed by the laboratory and its collaborators.