Introduction to Molecular Modelling

Module Code
BI2013
Module Coordinators
Andreas Peter Dominik
Teachers
Andreas Peter Dominik
Short Description
The module introduces to methods of molecular modeling and structural biology. Tools are explained by analysing existing drugs and applied to own examples.
Learning Objectives

Students know algorithms and tools for computer-assisted design of drug molecules. They can decide for appropriate methods and apply them to drug design. Students are able to solve problems of drug design with heterogeneous knowledge concerning computer science, chemistry or biology, in common.

Contents
  • Types of drugs (biologics, SMOLs)
  • Ligand-based design
  • Structure-based design
  • Design of biomolecules
  • Current developments
  • Examples for designed drugs
  • Design of own drug molecules
  • Application of software tools (commercial and public domain) and development of own software tools
Duration in Semester
1
Instruction Language
German
Total Effort
6 CrP; an estimated 180 hours, of which approximately 60 are spent in class.
Weekly School Hours
4
Method of Instruction

Lecture 2 SWS, Exercises 2 SWS

Requirements for the awarding of Credit Points

Examination prerequisite: Acceptance of exercises

Examination: Written exam

Evaluation Standard
according to examination regulations (§ 9)
Availability
Yearly
References
  • G. Klebe: Wirkstoffdesign: Entwurf und Wirkung von Arzneistoffen
  • Vorlesungsunterlagen
Prerequisites
bi1008,mn1013,mn1014
Prerequisite Modules