Europe’s premier platform for key opinion leaders to discuss the latest innovations & technological advancements in biologics discovery & development.
Schrödinger is excited to be participating in the Biologics 2024 conference taking place on March 13th – 15th in London, United Kingdom. Join us for a workshop by Cindy Gerson, Lead Product Manager at Schrödinger, titled “Computational approaches for engineering peptides and proteins with enhanced properties.” Stop by our booth to speak with Schrödinger scientists.
Workshop: Computational approaches for engineering peptides and proteins with enhanced properties
Presenters: Cindy Gerson, Lead Product Manager, Enterprise Informatics & Schrödinger Team, Noj, Jelena, Dan (use files from DDC workshop)
The enhancement of existing properties and the introduction of new functionalities are pivotal objectives in the development of therapeutic protein modalities such as peptides, antibodies, T cell receptors and enzymes. Typically, achieving these goals involves iterative rounds of time-consuming directed evolution. However, the incorporation of computational structure-based methods, rooted in physics, can expedite this process by providing reliable predictions for the location and identities of potentially beneficial mutations. This approach resulted in targeted selection of a few productive variants, prioritized for expression, or a smaller enriched library that simplifies variant screening. Our workflow has been seamlessly integrated into the Schrödinger collaborative design platform, LiveDesign. This integration allows for the assimilation of various technologies, expediting the discovery cycle.
In our upcoming workshop, we will delve into strategies covering:
- Refinement and preparation of experimental structures to make them suitable for modeling or the generation of 3D models when experimental structures are unavailable.
- Computational alanine scanning to identify mutagenic hotspots.
- Investigating potential liabilities by predicting aggregation-prone regions in proteins
- In silico saturation mutagenesis to predict mutations that enhance stability, potency, and selectivity.
- Prioritization and selection of variants for gene synthesis and expression.
This workshop aims to provide valuable insights and practical approaches for leveraging computational methods in the design and optimization of therapeutic modalities.