Special-topic Lecture Bioinformatics: Modern Methods in Drug Discovery WS 20/21


starting on November 9th; 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 tutorial.


Written exam: March, 9th 2021 (10:15 -12:00am) in building E1 3, lecture hall 002.

RESULTS of the exam of March 9th, 2021

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


April, 14th 2021 (16:15-18:00) in E2 1, room 007 or 003.


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

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


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.
The first test is on Thursday December 17th, 8:00 – 8:30.
The second test is on Thursday December 28th, 8:00 – 8:30.


5 (2 V + 1 Ü)


This course is taught in English language.


Lectures/Tutorials Slides Exercises
Lecture 1, November 9 Lecture 1 Assignment 1
Lecture 2, November 16  Lecture 2 Assignment 2
Tutorial 1, November 18, 2pm in MS-Teams Tutorial 1
Lecture 3, November 23  Lecture 3
Lecture 4, November 30  Lecture 4 Assignment 3
Tutorial 2, November 30, 3pm (sharp) and December 3, 11am (sharp) in MS-Teams Tutorial 2
Lecture 5, December 7 Lecture 5
Lecture 6, December 14  Lecture 6 Assignment 4
Tutorial 3, December 14, 3pm (sharp) and
December 17, 11am (sharp) in MS-Teams
Tutorial 3
Material: Floxacines.smi
1st Test, December 17th, 8:00 –  8:30 in moodle
Lecture 7, January 4 Lecture 7
Lecture 8, January 11 Lecture 8 Assignment 5
Tutorial 4, January 11, 3pm (sharp) and
January 14, 11am (sharp) in MS-Teams
Tutorial 4
Lecture 9, January 18 Lecture 9
Lecture 10, January 25 Lecture 10
2nd Test, January 28th, 8:00 –  8:30 in moodle
Lecture 11, February 1 Lecture 11
Exam March 9th, re-exam April 14th