A toolkit for selecting near-native protein-small molecule docking poses based on our observation that rigidification of the interface due to coupled interactions is a characteristic of native complexes.
- Raschka, Sebastian, Joseph Bemister‐Buffington, and Leslie A. Kuhn. “Detecting the native ligand orientation by interfacial rigidity: SiteInterlock.” Proteins: Structure, Function, and Bioinformatics (2016). DOI: 10.1002/prot.25172.
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