Introduction to molecular modelling
About
In this course, Introduction to molecular modeling, you will learn the basics of molecular modeling. The course focuses on molecular mechanics methods, the most suitable methods to study large biochemical systems such as proteins and DNA under realistic conditions. As a part of computer based biochemistry, you will also learn to use different methods that for example describe how a drug molecule binds to its target receptor, or how you can use computational methods to explore and visualize molecular movements.
An important part of the course are the computer based laborations, during which you perform various tasks within molecular modeling using the programme packages Molecular Operating Environment (MOE) and Chimera. The course also includes a molecular modeling project work, in which you together with another student perform a shorter study. For example:
- docking a set of proposed drug candidates to a receptor to determine which binds the strongest
- explore the interaction between different proteins in a macromolecular complex.
You present your project work in a written report and an oral presentation. Both the report and the presentation constitute the examination of the course.
The skills you will acquire in this course will help you to better understand molecular structures and how molecules interact. You will also get insight into the tools used for the development of new pharmaceuticals or materials, and in biochemical research.
Teaching
The course content is delivered through a series of lectures and computer laborations/projects.
The course is taught in English.
Prerequisites and selection
Entry requirements
90 credits within Science (or 120 credits within pharmacy/medicine). These courses should include KEM040 (physical chemistry 15 credits) or FYP203 (quantum physics 7.5 credits). Students with equal qualifications can be admitted. Mathematics 15 credits is strongly recommended.
Selection
Selection is based upon the number of credits from previous university studies, maximum 165 credits.
After graduation
The course can be included in the
- Bachelor’s programme in Chemistry
- Master’s programme in Chemistry
- Master’s programme in Organic and Medicinal Chemistry
- Master’s programme in Chemistry and learning.
The course can also be applied for as a stand-alone course.
The skills you obtain through the course in molecular modeling help you to better understand how to develop new pharmaceuticals or how to study interactions that govern signaling pathways in living cells or between proteins and DNA. The methods you will learn are used in practically all areas of chemistry, such as materials chemistry, atmospheric chemistry and organic synthesis. The demand for persons knowledgeable in computational modeling is constantly increasing in the world of chemistry.
Facilities
The course is given on Campus Medicinareberget.
More information about facilities
