Advanced Molecular Modelling Applied to Drug Discovery
Syllabus, Master's level, 3FK281
- Code
- 3FK281
- Education cycle
- Second cycle
- Main field(s) of study and in-depth level
- Drug Discovery and Development A1F, Pharmaceutical Sciences A1F
- Grading system
- Fail (U), Pass (G), Pass with distinction (VG)
- Finalised by
- The Educational Board of Pharmacy, 25 August 2022
- Responsible department
- Department of Medicinal Chemistry
General provisions
The course is part of the Master's Programme in Pharmaceutical Modelling and is an elective course in the Master of Science Programme in Pharmacy.
Entry requirements
150 credits of which 120 credits in biomedicine, pharmaceutical science, natural science and/or technology. Prior studies should include 10 credits in general chemistry and organic chemistry. Participation in the course Computational Medicinal Chemistry. Proficiency in English equivalent to the Swedish upper secondary course English 6.
Learning outcomes
On completion of the course the student should be able to:
- describe different types of protein-ligand interactions and characterise binding pockets
- use different search methods to find compounds with specific properties in large compound databases
- set up, perform and evaluate different virtual screening methods using large datasets
- account for and set up molecular dynamics simulations and free energy calculations
- Account for and use quantum chemical methods for the development of drug molecules
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Content
The course covers advanced methods and strategies used in medicinal chemistry research with a focus on computer-aided drug design. The course includes protein-ligand interactions, docking, chemo-informatics, molecular dynamics simulations, free energy calculations, and quantum chemistry. Application of these techniques in virtual screening, structure-based design, and ligand-based design will be addressed and used in computer exercises.
Instruction
The teaching is given in the form of lectures, seminars and computer exercises. Compulsory parts are the seminars, and the computer exercises. The course may be given in English.
Assessment
Individual written examination will be held in the end of the course. For a passing grade, successfully passed compulsory course parts (Computer exercise, 3 credits) and successfully passed examination (Examination, 4.5 credits) are required.
If there are special reasons for doing so, an examiner may make an exception from the method of assessment indicated and allow a student to be assessed by another method. An example of special reasons might be a certificate regarding special pedagogical support from the University's disability coordinator.
Other directives
The course cannot be part of an academic degree together with the course 3FK179 "Advanced Organic Chemistry Towards Pharmaceutical Chemistry Alternatively Molecular Modelling", 15 credits, because of partly overlapping content. This course substitutes and corresponds to 3FK181.