Special-topic Lecture Bioinformatics: Modern Methods in Drug Discovery WS 21/22


starting on October 25th; taking place in presence in building E2 1, room 001 (if possible) and online (videos will be available for download in the moodle system)


every second week as MS-Teams meeting, dates to be announced, please see table below


You have to register for this course in the moodle system. You will be added to the corresponding MS-Team for the tutorials.


Written exam: Monday, February 7th, 2:00 pm, lecture hall 002 in building E1 3; please find the results here.

LSF registration is mandatory to participate in the exam; deadline is January 31st, 2022.

Note: This course will be presented in English, the final exam will be available in German too.


Re-exam: Wednesday, April 13th, 2022, 2:00 pm – 4:00 pm, E2 1, seminar room 007.

Please find the results here.

LSF registration is mandatory to participate, deadline is April 6th, 2022.


This course can be used as a “Spezialvorlesung der Bioinformatik/Special-topic Lecture Bioinformatics”


  • basic knowledge of Organic Chemistry and Genetics
  • scope of the lectures:
    Bioinformatik I + II
    Computational Chemistry
    Softwarewerkzeuge der Bioinformatik or Structural Bioinformatics

The questionnaire gives you an idea about the required knowledge.
Due to technical limitations, the number of participants
will be limited to about 20.

Students need to have successfully passed one of the following courses to be admitted:
Bioinformatik II
Bioinformatics III (Master Program Bioinformatics)
Computational Chemistry I
Softwarewerkzeuge der Bioinformatik
Structural Bioinformatics (Master Program Bioinformatics)


The focus of this course is the computer based prediction of suitable pharmaceutical drugs and the search for new potential targets in the human genome. Following topics are covered:

  • molecular origin of typical diseases and the mode of action of drugs
  • virtual substance libraries and query strategies
  • in silico eADMET models and filters, bioavailability
  • statistics and QSAR methods
  • metabolism, toxicology and adverse side effects, also considering biomarkers
  • polymorphism and susceptible genes
  • identification of orthologous genes to derive new targets and model organisms
  • current trends and strategies of drug design


Grade of certification (“Schein”) is based on the final exam only.

Condition for participation in the final exam

Passing the two intermediate tests. These will be available in the moodle system.
First test: December 9th, 10:30 am
Second test: January 20th, 10:30 am


5 (2 V + 1 Ü)


This course is taught in English language.


Lectures/Tutorials Slides Exercises
Lecture 1, October 25 Lecture 1 Assignment 1
Lecture 2, November 8  Lecture 2 Assignment 2
Tutorial 1, November 11, 10:15 am online Tutorial 1
Lecture 3, November 15  Lecture 3
Lecture 4, November 22  Lecture 4 Assignment 3
Tutorial 2, November 25, 10:15 am online Tutorial 2
Lecture 5, November 29 Lecture 5
Lecture 6, December 6  Lecture 6 Assignment 4
Tutorial 3, December 9, 11:05 am online Tutorial 3
Material: Floxacines.smi
1st Test (in moodle), December 9, 10:30 am
Lecture 7, December 13 Lecture 7
Lecture 8, January 3 Lecture 8 Assignment 5
Tutorial 4, January 6, 10:15 am online Tutorial 4
Lecture 9, January 10 Lecture 9
Lecture 10, January 17 Lecture 10
2nd Test (in moodle), January 20, 10:30 am
Tutorial 5, January 20, 11:05 am online
Lecture 11, January 24 Lecture 11
Lecture 12, January 31 Lecture 12
February 7  (exam)