Assistant Professor (Research)
Smita Priyadarshini Pilla
Bioinformatics
About me
Computational biologist with 4+ years of postdoctoral research experience in structural bioinformatics, peptide design, and structure prediction of protein and RNAs. Experienced in applying AI-driven structural tools (RFdiffusion, ProteinMPNN, AlphaFold, EvoBind) to study protein/RNA complexes and design peptide binders. Skilled in building end-to-end computational workflows, integrating MD simulations, docking, and large-scale structural analysis on HPC systems.
Interests: Sructural biology of dynamic protein-protein interactions and large macromolecular assemblies AI-driven modeling for structure prediction and peptide design Computational design of therapeutic peptides targeting disease-relevant interfaces Enhanced sampling and free-energy methods for quantitative binding evaluation Integrative AI–physics frameworks for translational molecular design
Skills
My Services
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