The students will learn about the physical models and computational approaches used for atomistic simulations of complex macromolecular structures. Concrete examples will include proteins, DNA, membranes, as well as their composites. The course will include hands-on training with the simulation software packages NAMD and VMD, where the following topics will be addressed:
- using computational biophysics programs VMD and NAMD;
- applications of VMD and NAMD in modern research enabled by high-performance computing;
- force fields and parameterizing new molecules;
- modeling nucleic acid systems;
- simulating membrane proteins and ion channels
Date
20-10-2021
19-01-2022
Institution
Carl von Ossietzky University of Oldenburg
Role
Lecturer
Teacher
Ilia A. Solov'yov