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About the Project

The rotational diffusion of an unfolded protein is an important parameter in determining the mechanistic features of biomolecules in both crowded and confined environments. Molecular dynamics (MD) simulations can be used to compute the rotational diffusion of proteins in confinement in-silico. The calculation of proteins by MD requires large simulation times for very large proteins. The current project aims at combining molecular dynamics and artificial intelligence methods to compute rotational diffusion of large proteins in confinement.

Department and Campus

Centre for Computational Engineering and Networking (CEN), School of Engineering, Coimbatore

Skillsets Preferred from Applicants

Previous experience in molecular dynamics will be an advantage. Candidates should have or should be ready to pick up the skills of programming and mathematics.


Bioinformatics and Systems Biology, Artificial Intelligence
Dr. Navaneeth Haridasan

Assistant Professor
Centre for Computational Engineering and Networking (CEN), Coimbatore

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