Modellierung und Simulation biologischer Makromoleküle

What it is about

You will learn computational methods for modeling and simulating biological macromolecules. In the end you will be able to explain the physical principles of protein interactions, select suitable model types and algorithms, and apply them to tasks such as protein structure prediction, protein design and protein–ligand interactions.

What you will be able to do

• Knowledge of the physical principles of protein interactions with small molecules, amino acids, proteins, membranes and nucleic acids
• Familiarity with computer-based tools for protein modeling
• Distinction of various molecular models and algorithms
• Selection of suitable models/algorithms for protein structure prediction
• Selection of suitable models/algorithms for protein design
• Selection of suitable models/algorithms for protein–ligand interactions
• Selection of suitable models/algorithms for protein–protein interactions
• Selection of suitable methods for sampling protein conformations

What the module consists of

• LectureConveying the thematic contents through frontal and interactive teaching formats

Teaching method

• Presentation (PowerPoint)informing and structuring the content
• Chalkboard / manual drawingsVisualization and explanation of concepts
• Case studies / individual work with web serversApplying and deepening what has been learned through practical exercises
• Interactive Q&A / FlashlightFeedback, evaluation and deepening understanding
• Practical use of licensed software and web servers (Schrödinger, AlphaFold, I‑Tasser, ClusPro, HADDOCK)Gaining practical experience through independent simulations and analyses