Practical course - Applied Structure-Based Drug Design

Applied Structure-Based Drug Design - two-week practical course

In the practical course "Applied structure-based drug design" (BIOINF4230) you will get hands-on experience with common techniques of computer-aided drug design. These include methods such as docking, homology modeling, quantum mechanics, and molecular dynamics. In the course you will work on real-life drug targets and with program packages such as Glide, Prime, Gromacs, and BallView.  

During the two week course you will prepare and visualize protein 3D structures and analyze protein-ligand interactions. Furthermore, you will design your own ligands based on the analysis of the target protein and perform computer-aided modeling methods. At the end of the course you will screen a larger database of potential drug molecules for novel inhibitors to you drug target molecule and analyze the results of this screening.


  • The practical course will take place in a two-week period during the lecture-free time at the end of the winter semester. The time slot is from Monday, 10th March to Sunday, 23th March.
  • A first organizational meeting for participants is on, Thursday, 17th October, 1pm in C311.
  • Specific dates will be announced during a second preparatory meeting before christmas, Tuesday, 16th December 2013, 2pm in C311.


  • To be able to participate in the practical course you need to have completed the "Grundstudium" (as a Diploma-student) or you need to be enrolled in the M.Sc. Bioinformatics course. Interested students from other degree programs may contact us in order to also participate in the practical course.
  • There is a maximum of 8 students for the course (due to limitations in the computing pool)
  • Prior attendance to the lecture Drug Design (1 and 2) is recommended, but not required. Also good knowledge of organic chemistry and structural biology may be helpful. 

Registration (on a first come first serve-basis) via email: assd-ws1314 at

If you have any questions or remarks, please write an email (also to assd-ws1314).