The course on which the project will focus is PHY426H5 Computational Modeling in Physics (SCI) in the Spring semester of 2019.
This lecture is created for CPS Teaching Fellowship where we introduce a novel approach to study advanced scientific programming. The goal of today's lecture is to present Molecular Dynamics (MD) simulations of macromolecules and how to run them using Python programmming language. We will use a lot of numpy functions and a few of new modules, such as openmm for MD simulations. Important concepts that students need to master first and we will cover them all:
- Newton's Laws
- Simulation of dynamics of particles
- Proteins and levels of their structure
- Molecular Mechanics
- MD simulations of proteins