Hand-in task 3

In this hand-in you will learn how to perform docking simulations and feel a bit like a computational chemist/drug design expert. You will have three cases to work on: 1) a test case where you will dock an inhibitor to the tyrosine kinase and compare your results with the known pose, 2) a case where among three protein targets you will need to identify the one with the highest affinity to the specified ligand, and 3) a case where you will need to sort three given ligands based on their affinity to the specified protein.

Soft deadline: Friday Oct 11, 2024, 6pm.

Hard deadline: Before the exam.

Should you get a return, you have 5 days to correct (from when handed the comments).

You must complete and pass this exercise before taking the exam.

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