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