46. Moritz Schaefer - CeMM - Diffusion Modells for Protein Structure Prediction for antibody design

46. Moritz Schaefer - CeMM - Diffusion Modells for Protein Structure Prediction for antibody design

Author: Manuel Pasieka August 29, 2023 Duration: 57:49

# Summary

In our bodies, the Immune system is detecting foreign pathogens or cancer cells, called antigens, with the help of antibody proteins that detect and physically attach to the surface of those cells.

Unfortunately our immune system is not perfect and does not detect all antigens, meaning that the immune system does not have all antigens it would need to detect all cancer cells for example.

Modern cancer therapies like CAR T-cells therapy therefor introduces additional antibody proteins into the system. This is still not enough to beat cancer, because cancer is a very diverse decease with a high variation of mutations between patients, and the antibodies used in CAR T-cell therapy are developed to be for a cancer type or patient group, but not for individual patience.


Today on the austrian AI podcast I am talking to Moritz Schäfer who is working on applying Diffusion Models to predict protein structures that support the development of patient specific, and therefore cancer mutation specific antibodies. This type of precision medicine would enable a higher specificity of cancer Therapie and will hopefully improve Treatment outcome.


Existing DL systems like Alpha Fold and alike fall short in predicting the structure of antibody binding sites, primarily due to lack of training data. So there room for improvement, and Moritz work is focused on applying Diffusion Models (so models like DALL-E or Stable Diffusion), which are most well known for their success in generating images, to problem of protein prediction. Diffusion models are generative models that generate samples from their training distribution based on an iterative process of several hundred steps. Where one starts, in case of image generation from pure noise, and in each step replaces noise with something that is closer to the training data distribution.


In Moritz work, they apply classifier guided Diffusion models to generate 3d antibody protein structures.

This means that in the iterative process of a diffusion model where in each step small adjustments are performed, a classifier nudges the changes towards increasing the affinity of the predicted protein to the specific antigen.


# TOC

00:00:00 Beginning

00:03:23 Guest Introduction

00:06:37 The AI Institute at the UniWien

00:07:57 Protein Structure Prediction

00:10:57 Protein Antibodies in Caner Therapy

00:16:17 How precision medicine is applied in cancer Therapy

00:22:17 Lack of training data for antibody protein design

00:30:44 How Diffusion models can be applied in protein design

00:46:06 Classifier based Diffusion Models

00:51:18 Future in prediction medicine


# Sponsors

Quantics: Supply Chain Planning for the new normal - the never normal - https://quantics.io/

Belichberg GmbH: We do digital transformations as your innovation partner - https://belichberg.com/


# References

Moritz Schaefer - https://www.linkedin.com/in/moritzschaefer/

Unser Institut - [https://www.meduniwien.ac.at/ai/de/contact.php](https://www.meduniwien.ac.at/ai/de/contact.php)

Lab website - [https://www.bocklab.org/](https://www.bocklab.org/)

LLM bio paper: [https://www.biorxiv.org/content/10.1101/2023.06.16.545235v1](https://www.biorxiv.org/content/10.1101/2023.06.16.545235v1)

Diffusion Models - https://arxiv.org/pdf/2105.05233.pdf

Diffusion Models (Computerphile) - https://www.youtube.com/watch?v=1CIpzeNxIhU


Hosted by Manuel Pasieka, the Austrian Artificial Intelligence Podcast offers a grounded, local perspective on a global phenomenon. Instead of abstract theorizing, each conversation focuses on the tangible impact and practical applications of AI within Austria's unique ecosystem. You'll hear from a diverse range of guests-researchers, entrepreneurs, policymakers, and creatives-who are actively shaping this landscape, discussing both the remarkable opportunities and the nuanced challenges specific to the region. The discussions delve into how these technologies are being integrated into Austrian industry, academia, and society, moving beyond hype to examine real-world implementation and ethical considerations. This podcast serves as an essential audio forum for anyone in Austria, or with an interest in the European tech scene, looking to understand how artificial intelligence is evolving right here. It’s about the people behind the algorithms and the local stories within a global revolution. For those engaged with the content, questions and suggestions are always welcome at the provided email address.
Author: Language: English Episodes: 73

Austrian Artificial Intelligence Podcast
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