Sushil Mishra
Assistant Professor, Department of Biomedical Engineering
My research is in the intersection of computational biophysics, glycoscience, and biomedical engineering. We use molecular simulations to explore the structure, conformational dynamics, and functional properties of glycans, glycosaminoglycans (GAGs), lectins, glycosyltransferases (GnTs), and glycan-binding viral proteins to study how molecular structure and conformation affect biological activity.
Building on these mechanistic insights, I also apply AI/ML-driven approaches, including diffusion-based generative models and free-energy methods, to design and engineer proteins that selectively recognize disease-relevant glycans. Our design pipeline spans lectins, single-chain antibodies (scFv), and peptides, validated through both simulation and experiment.
Contact
Office Location
A306 Brevard Hall
The University of Mississippi
University, MS
Email
sushil@olemiss.edu
Phone
662-915-2623
Research Interests
AI/ML-Driven Protein Design and Engineering
I design and engineer glycan-binding proteins (lectins, scFv antibodies, peptides) using diffusion-based models to selectively recognize glycan biomarkers. We apply molecular dynamics simulations and experimental approaches to predict/measure binding interactions.
Molecular Simulations of Glycans and Glycan-Binding Systems Biomolecules
We use molecular dynamics simulations to explore the structure, dynamics, and functional properties of glycans, GAGs, lectins, viral proteins, and glycosyltransferases.
Free-Energy Methods for Protein–Glycan Binding Prediction
We use molecular dynamics simulations to explore the structure, dynamics, and functional properties of glycans, GAGs, lectins, viral proteins, and glycosyltransferases.
Bio(medical) Informatics for Precision and Personalized Medicine
We use molecular dynamics simulations to explore the structure, dynamics, and functional properties of glycans, GAGs, lectins, viral proteins, and glycosyltransferases.