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Lecture Drug Design 2 (BIOINF4372)

This lecture introduces the concepts of ligand-based computer-aided drug design.

Audience and Topics

This course is suitable for MSc and Diploma students of Bioinformatics and Computer Science.
The lecture Drug Design 1 is recommended, although the contents are independent and the two courses can be attended independently.

Key topics of this lecture comprise amongst others:

    • Introduction to ligand-based drug design
    • Chemoinformatics basics
    • Representation of chemical structures
    • Topological similarity and its applications
    • 3D Structure and its applications
    • Quantitative structure-activity relationship (QSAR)
Lecture details for download: DD2_SS14_Details.pdf


Credits, Grading and Requirements

  1. This course gives 4 ECTS credits (BSc, MSc), 3 SWS (Diploma).
  2. The overall grade is computed as the weighted average of:
    • Assignment grades  (25% of overall grade)
    • Project grade  (25% of overall grade)
    • Exam grade  (50% of overall grade)
    Passing requires an overall grade of 4.0 or better.
    Passing individual contributions is not required.
  3. Requirements:
    • Participation in the weekly tutorials.
    • Individual handing in of assignments. We will check for duplicates and copying can lead to course exclusion!
    • Joint work on a small research project. This includes writing a paper and presentation of the project results in class.
    • Oral exam.


Key Dates and Locations

  1. Lectures:
    Thursday, 10:15 - 12:00;  Sand 14, Room A104;  first lecture on April 10th
  2. Tutorials:
    To be announced
  3. Project schedule:
    Hand-out on May 15th;  hand-in on July 3rd;  presentations on July 10th
  4. Oral exams:
    July 14th-18th
  5. Lecture-free thursdays:
    Mai 1st, Mai 29th, June 12th, June 19th


Course Materials

  1. Slides:
    After the lecture, the used slides will be provided here. Hardcopies are available in class.
  2. Assignments:
    Assignments will be handed out every other week and can also be found here.
  3. Further materials:
    Additional course materials will be provided here.
  4. Recommended textbooks:



Instructors:  Dr. Jens Krüger and Philipp Thiel
Tutorials:  Andreas Friedrich
eMail:  dd2-ss14 at