ChemEM: Flexible Docking of Small Molecules in Cryo-EM Structures

Cryo-EM structures are sometimes modest resolution which can be an issue for small molecule docking. ChemEM is a software package for docking small molecules into medium-to-high-resolution cryo-EM structures DOI

ChemEM is currently distributed via anaconda.

conda install -c chemem -c conda-forge chemem

pip install BioTEMPy==2.0.0

Full details are in the Quickstart guide

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