Molecular Dynamics Simulations: Case studies for protein interaction with nanoparticles and nanostructures

Abstract:

Thanks to the vast development of computer technology and algorithm improvements along with the enhanced ability in controlling of the simulation conditions, and probing the molecular process of cell biology, there are more available rooms to employ molecular dynamics to study systems of interest. In this presentation, I will review some of my recent works in studying the interaction of some proteins with nanosheets, an Aptamer and Mannose using molecular dynamics simulation to investigate these interactions in detail.