ChemEM utilizes information from Cryo-EM density and state-of-the-art small molecule force fields to dock small molecules into protein targets.
The identification and segregation of CryoEM density corresponding to ligands, separate from proteins within the map, yields more accurate solutions. This technique is also leveraged to assign individual density regions to specific ligands, allowing for the simultaneous fitting of multiple molecules to a single protein binding site.
Enhance structural insights from cryo-EM data with ChemEM. Accurate ligand fitting to cryo-EM structures poses challenges at resolutions lower than 3.0 Å. ChemEM was engineered to maintain a high level of precision at such resolutions, generating accurate solutions up to 5.6 Å.
