A number of company workshops will take place during EFMC-ISMC, in between the morning and afternoon sessions. Participation in the workshops is free of charge, but we kindly ask you to register for the workshops of your interest via your online registration.
|Monday, August 30 | 12:30-13:15 CEST
LiveDesign: a Collaborative Environment for Real-world Drug Discovery Workflows
Presenter: Stephan Ehrlich
LiveDesign is Schrodinger’s Enterprise Informatics platform, providing a powerful web-based data capture, analysis, and workflow interface to the underlying experimental data, chemoinformatics and modeling tools that drive modern drug discovery.
The ability to assess validated advanced computational results side by side with assay and structure data in a real-time fashion has allowed Schrodinger and many global pharma companies to shorten molecular designs cycles and made exploration of large chemical spaces easy. At the same time, LiveDesign democratizes simpler computational workflows like docking, machine learning or virtual compound generation.
This workshop will provide a hands-on impression of the platform, focusing on ideation of new compounds, visualization of those ideas in 3D, and enabling truly collaborative design decisions. Access to the platform will be provided to participants; please make sure you have a recent version of either the Chrome or Firefox browsers installed on your machine.
Tuesday, August 31 | 12:30-13:15 CEST
Presenter: Sarah Witzke
Computational techniques may be applied on one or more existing ligand-bound crystal structures to produce the best – and most easily synthesised – molecules to fit within a binding site. This is illustrated using the drug Tarceva bound to its EGFR receptor, and applying capabilities within the MOE (Molecular Operating Environment) software system;
|Tuesday, August 31 | 12:30-13:15 CEST
DEL Screening Technology as an Enabling Tool for Medicinal Chemists
More details to follow.
|Wednesday, September 1 | 12:30-13:15 CEST
DNA-Encoded Library Technology: Strengths and Development Opportunities
Presenter: Olivier Querolle, Drug Discovery Director
Since several years now, DNA-encoded library (DEL) technology has emerged as a valuable and robust platform for hit identification of multiple biological targets. In this workshop, NovAliX will review in detail the overall process and key principles of DEL meaning library design and production, affinity screening and hit identification. Then, through several examples, the power of this technology for the discovery of new chemical matter will be highlighted.
However, even if DEL displays several advantages compared to traditional screening methods, there is still room for scientific and technical developments which will reinforce the power of this technology. As an example, continuous emergence of novel DNA-compatible reactions and the increasing accessibility of new building blocks offer new avenues for library design and optimization of the chemical space coverage. Therefore, the last part of the workshop will be dedicated to share our view on the developments to come in the DEL field.
|Wednesday, Setpember 1 | 12:30-13:15 CEST
Developing Inhaled Drugs for Respiratory Diseases: A Medicinal Chemistry Perspective
Presenter: Elisa Pasqua, Group Leader
Despite the devastating impact of many lung diseases on human health, there is still a significant unmet medical need in respiratory diseases, where inhaled delivery represents a critical strategy. There are many advantages to delivering a therapeutic directly to the lungs, but designing a drug for inhaled delivery is challenging. Watch this presentation to learn more about designing drugs for inhaled delivery.