Pre-Conference Workshop Day
Workshop A 10.00 – 12.00
Implementing a Prediction Tool to Uncover Protein-Protein Interactions
Synopsis
Representatives from: Schrödinger
As biologics development progresses, the emphasis on understanding protein interactions to develop better drugs is still prevalent and ever-growing.
Learn from Schrodinger’s experts on how to:
- Design better quality biomolecules with predictive methods to optimize molecules from sequence to structure
- Implement explicit solvent molecular dynamics (MD) simulations that combines physics-based free energy perturbation (FEP) calculations with OPLS4 force field to provide accurate energetics while allowing conformational flexibility
- Leverage both FEP+ and their constant-pH molecular dynamics (CpHMD) implementation to account for state changes, both upon binding/folding and at different pH values
Workshop B 1.00 – 3.00
Utilizing Artificial Intelligence and Machine Learning to Design and Predict Biologic Candidates’ Safety
Synopsis
With the biologics space developing more candidates every year, the importance of understanding toxicity and addressing these safety aspects is ever-growing. Just as in biologics discovery, prediction tools can help reduce time and costs, and work to supercharge biologics developability.
Join this interactive workshop to learn how to:
- Assess best-practices for incorporating integrated databases for predictive models for from discovery to development
- Overcome data quantity & quality challenges to train models
- Tackle common challenges for end-to-end integration of AI