Exploring the Pathway of Protein Supramolecular Assembly through Machine Learning Aided Molecular Simulations
Implementing Organization
Indian Institute of Technology (Madras)
Principal Investigator
Dr. M.HamsaPriya
Indian Institute of Technology (IIT)
Project Overview
The project intends to employ machine learning based advanced molecular simulation technique to understand the pathway of self-assembly of proteins into supramolecular structure. We would first explore the coupled dynamics of protein folding and dimerization. Then extend the study for multimeric assembly like amyloid fibril formation and protein nanocages.