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Combining cryoEM data with ligand docking

Updated: Feb 5

Improving drug design by using CryoEM data for precise docking of ligands at protein binding sites!

We're excited to introduce ChemEM, a new software developed in the Topf lab. It uses Cryo-Electron Microscopy (Cryo-EM) data to improve the way ligands are placed in protein binding sites. While Cryo-EM has unlocked the door to high-resolution structural data, challenges remain at medium resolutions. The team  engineered the ChemEM software to accurately position one or multiple ligands in medium resolution cryo-EM maps, often surpassing conventional Cryo-EM solutions. This advancement promises not only enhanced drug design precision, but also opens avenues for leveraging Cryo-EM structures in pharmaceutical research.

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