To provide the theoretical foundations to molecular dynamics (MD) simulations. To train students to set up and run MD simulation of biomolecules like proteins, DNA, RNA. To analyze the simulation trajectory to compute structural and thermodynamic properties of the biomolecules. To introduce special alterations to classical MD, in order to effectively sample the large conformational space of bio-macromolecules
- Teacher: hamsa HAMSA PRIYA MOHANA SUNDARAM