Workshop A: Implementing AI & In Silico Technologies to De-Risk the Discovery of Induced Proximity Therapeutics & Accelerate Their Translation
Time: 10:00 am - 12:00 pm
day: Workshop A
Details:
The development of induced proximity therapeutics, such as protein degraders and molecular glues, is a rapidly evolving field with significant potential to revolutionise patient lives. While AI can predict surface complementarities, illustrate PK-PD profiles, and design novel compounds, the practical implementation of AI remains complex and costly. Applying AI and molecular dynamics to molecular glue discovery is still in its infancy. It is therefore important to rigorously evaluate the appropriate use of these tools to enable the highest impact. To do this, this workshop will cover the following points:
- How can we design computational approaches to fit the needs of the user?
- Comparing the strengths and weaknesses of machine learning approaches and molecular dynamics simulations
- To what extent can a computational platform enable the discovery and optimisation of molecular glues?
