FA509: Introduction to Pharmaceutical Molecular Modelling

The purpose of the course is to give students an overview of modern methods in molecular modeling with applications in organic and biochemistry as well as pharmacy. 

In order to achieve the purpose of the course, the learning objective of the course is that the student demonstrates the ability to:

• Understand which forces that exist between atoms on a molecular scale and how to represent these forces in simple models
• Identify and describe the modern calculation methods mentioned in the table of contents;
• Assess the strengths and weaknesses of these methods in relation to solving problems in organic chemistry and pharmacy;
• Select relevant modelling methods to study a given problem;
• Perform computer calculations with the selected modelling methods to solve a given problem and interpret the result of the calculations.
• To demonstrate the basic principles of using modeling for structure-based and ligand-based rational drug development.

Planned lessons:

Hereof: 

Common lessons in classroom/auditorium 20 

Team lessons in laboratory 16

The course is primarily based on the flipped classroom method. The course consists of classroom lessons and computer exercises. Before a given class lesson, students must watch a video that reviews the learning material and during the lessons they work on questions and/or assignments for the learning material. During the computer exercises, they work on specific exercises that illustrate the theoretical concepts.

Other planned teaching activities: 

• Reading the textbook material

• Problem solving including performing computer exercises

• Preparation of final project