This course will introduce the students to simulations of biomolecules. Some of the topics covered in the basic course such as molecular dynamics, force fields and free energy calculations will be revisited in the context of biologically relevant molecules (i.e. proteins, membranes, drug targets, etc.). We will also introduce enhanced sampling, coarse-graining and QM/MM methods. The time will be split between lectures and hands-on practical sessions.

 

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