Andrew Muenks

Mar 1, 2023 | nature.com | Samantha Zepeda |Guangfeng Zhou |David Veesler |Andrew Muenks

Creating the protein-ligand datasetAll single-particle EMDB entries with an associated ligand bound structure at 6 Å nominal resolution or better as of September 03, 2021 were obtained. Given the specificity of trying to model ions and glycans, structures with only these types of ligands were excluded from the dataset. In addition, the set had several cases with small molecules in close proximity.