Module information

Teaching aims

Rational, computer-aided drug design is an essential part of both industrial and academic development of new medications. In this module, you will learn about cheminformatic representations of molecules, algorithms and data structures for molecular design, and the power and limits of computer programs for modeling and predicting biological effects of chemicals in the human body. Computational approaches in the drug discovery and development pipeline will be discussed, and we will work with software and programming frameworks that allow to create predictive models that can be applied for the discovery of new drugs.

Lectures & Courses

This module is implemented in "Selected Topic in Theoretical Computational Sciences". To successfully complete all required courses, you have to complete 2 hours of lectures and complete the practical course from the list below.

Lectures

Overall, two contact hours per week (SWS) are required from the choice of lectures below:

• 22510a - Current topics in pharmaceutical research (Lecture [1 SWS])
This lecture is offered in winter and summer semester.
Registration: Via Blackboard course, dates will be announce via blackboard
Contact: Prof. Dr. Daniel Klinger (daniel.klinger (at) fu-berlin.de)Prof. Dr. Gerhard Wolber (gerhard.wolber (at) fu-berlin.de)

• 216762 - Drug Design - from target to hit identification (Lecture-like seminar) [1 SWS]
This lecture is offered in winter (part I) and summer semester (part II). Either part is sufficient to complete the module. You can either attend both parts of this lecture or combine one arbitrary part with the Current topics in pharmaceutical research (Lecture) listed above.
Registration: Via E-Mail (before the lecture starts, see course catalog for dates)
Contact: Dr. Roman Hillig (roman.hillig (at) nuvisan.de)

Practical course

• 22059 - Computer-aided drug design
Registration: via e-mail, before December 31
Contact: Prof. Dr. Gerhard Wolber (gerhard.wolber (at) fu-berlin.de) or Prof. Dr. Andrea Volkamer (andrea.volkamer (at) charite.de)

Exam

After having attended the lectures and the practical course, a short oral module exam is required to complete the module. For schduling an exam date, please contact Prof. Dr. Gerhard Wolber (gerhard.wolber (at) fu-berlin.de).