Computational Design and Directed Evolution of Therapeutic Peptides

Educators: 
Alexander Zoblin, Felipe Engelberger-Aliaga, Mateusz Skłodowski, Moritz Ertelt

Date: 
16-20.12.2024

Location: 
Leipzig University, BBZ and S1/S2 Brüderstraße 34

Contents:
Peptides as therapeutics are an emerging class of therapeutics modalities, due to their high binding affinities and specificities. Here we will discuss their characteristics as therapeutic class and give an overview of recent and future developments. Furthermore, we highlight strategies for identification and optimization of peptide therapeutics. We will also cover emerging technologies for structure-based computational design of peptides using Rosetta. Specifically, we will train students in the theoretical background of computational techniques for Peptide design and provide hands-on training with respect to engineering peptides consisting of genetically encoded but also non-canonical amino acids.

Learning goals:

• Introduction to (Py)Rosetta for molecular modeling and design
• Overview of protein structure prediction methods for peptides
• Overview of generative AI methods for peptide generation

Prerequisites:

• Basic bioinformatics knowledge

Keywords:
Protein Design, Protein Modeling, Generative AI

Tools:
Rosetta, ProteinMPNN, RFdiffusion, Alphafold2

Contact:
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