Macromolecular interactions are essential for different cellular processes in all forms of life, underpinning wide array of biological functions. Structural genomics reveals new molecular complexes with unknown functions. Thus it creates a challenge to computational structural biologists to understand the folding, assembly, evolution, and function of these cellular machines that are governed by the specific interactions of macromolecules. My research aims to elucidate the question ‘What makes the specificity in macromolecular recognition’, especially protein-RNA recognition. Our Computational Structural Biology Lab try to address many fundamental questions like ‘how to discriminate the specific and non-specific interactions, ‘what is the role of water molecules in protein-RNA recognition’, ‘how protein interaction networks in icosahedral virus capsids assemble to make a spherical like structure that encapsulate and protect viral genome’ and ‘what makes the specificity of proteins to interact with nucleic acids’. We are also interested to understand the structural basis of energetics of folding and binding of RNA with protein. This will contribute knowledge to our understanding of the intrinsically disordered proteins, which undergoes unfolding to folding transition while binding a RNA molecule. Besides, we are developing algorithms for the prediction of miRNA and lncRNA in different plant species. Study of these complex assemblies is not only important for their functional role but also they serve as major therapeutic targets, and such a study should be relevant to both basic science and pharmacology.
-
A light gradient-boost based model for animal pre-mIRNA prediction. by Venkatesan A., Basak J. , Bahadur R. P. Computational Biology Conference 2025 CBC2025-AB-82- (2025)
Principal Investigator
- National Network Project of Department of Biotechnology, IIT Kharagpur Department of Biotechnology
- Understanding Structure Function and Evolution of Regulatory Networks with a Special Emphasis on Human Diseases-BIC at Department of Biotechnology, IIT-Kharagpur DBT, NEW DELHI
Ph. D. Students
Anirban Biswas
Area of Research: Computational Systems Biology
Bhagat Mashu Ratnakar
Area of Research: Computational Biology
Sangay Sarap Sherpa
Area of Research: Computational Systems Biology
Shri Kant
Area of Research: Computational Biology
Siddharth Deogam
Area of Research: Bioinformatics and Computational Biology
Sonali Chatterjee
Area of Research: Bioinformatics and Computational Biology
Sourav Maity
Area of Research: Bioinformatics and Computational Biology
Subhasis Datta
Area of Research: Gene Regulation
Swapnil Pal
Area of Research: Bioinformatics and Computational Biology
Swarnadip Mitra
Area of Research: Bioinformatics and Computational Biology
Swarnava Garai
Area of Research: Bioinformatics and Computational Biology
V Amrit
Area of Research: Computational Biology
