Course overview:

Website: https://bioinformatics.charite.de/main/course_theoretical.php

The Structural Bioinformatics Group offers a broad and comprehensive set of lectures in the areas of structural bioinformatics and drug design. The course begins with a general introduction of the drug design pipeline and an introductory course on the structural bioinformatics research field. These lead on to more specialized topics, amongst others in chemo-informatics, molecular docking, homology modeling and more detailed aspects of toxicity prediction models.

Structure of the course:

This course consists of eight lecture series. A detailed lecture for a period of 2 hrs on individual topics is delivered in the morning session. Afternoon session consists of an assignment for each topic. This part of the lecture course is assessed by examination, which will take place at the end of the course. Students are asked to delivered a seminar/presentation for 25 minutes, on the topic assigned to them. The material for the examination will be provided in advance, ensuring that the students have required time for preparation.

Topics for lectures are:

• 1. Introductory session
• 2. Peptide design
• 3. Homology modeling
• 4. 3D Molecular superimposition of small molecules
• 5. In silico screening, molecular fingerprints and chemical similarity
• 6. Molecular docking
• 7. Natural products and fragments based drug discovery
• 8. In silico toxicity prediction