CRyo-EM STructure based Drug Design (CRYOSTUDIO).

This project aims to understand in more detail how cryo-EM can be improved with computational methods that are integrated with the generation phase of the structures and assessing how these structures can have a different impact for molecular design and lead optimisation chemistry. By combining the J&J internal cryo-EM expertise with external physics-based computational expertise provided by University of Antwerpen and KTH (Sweden), and Janssen medicinal chemistry drug discovery, we expect to make significant contributions to selected discovery projects by predicting alternative protein conformations, understanding ligand binding sites and binding modes using cryo-EM, allowing us to better handle challenging structure-based drug design targets.

Keywords:THEORETICAL STUDY, EXPERIMENTAL STUDY, HYBRID COMPUTATIONAL TECHNIQUES, MODEL SYSTEMS

Disciplines:Biophysics not elsewhere classified, Compound screening, Biomolecular modelling and design, Medicinal chemistry, Structural biology

Project type:Collaboration project