58th International Conference on Medicinal Chemistry 2024

Schrödinger is excited to be participating in the 58th International Conference on Medicinal Chemistry 2024 taking place on July 3rd – 5th in Bordeaux, France. Join us for a workshop by Jelena Vucinic and Jean-Christophe Mozziconacci, titled “Computational Approaches for Engineering Peptides with Enhanced Properties.” Stop by booth 25 to speak with Schrödinger scientists.

Speakers:
Jelena Vucinic, Senior Scientist I, Schrödinger
Jean-Christophe Mozziconacci, Senior Principal Scientist, Schrödinger

Abstract:
The enhancement of existing properties and the introduction of new functionalities are pivotal objectives in the development of therapeutic protein modalities such as peptides. 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 cover:

• Introduction to LiveDesign
• Support of biologics modalities within LiveDesign
• Working with peptide sequence, structures, experimental and in silico data within LiveDesign
• Workflows for examining and identifying therapeutic peptide candidates with desirable properties

This workshop aims to provide valuable insights and practical approaches for leveraging computational methods in the design and optimization of therapeutic modalities.