Introduction to molecular modelling

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.