Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-based Featurization Method
Garrett A. Stevenson, Daniel A. Kirshner, Brian J. Bennion, Yue Yang, Xiaohua Zhang, Adam T Zemla, Marisa W. Torres, Aidan Epstein, Derek Jones, Hyojin Kim, William F. Bennett, Sergio Wong, Jonathan Allen, Felice C. Lightstone
This paper introduces a ligand-based featurization method to map human protein pockets and identify potential drug interactions by clustering proteins and evaluating compound associations.
Journal of Chemical Information and Modeling · Oct 17, 2023Peer-reviewedSynthetic Biology