Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design - Curran, Peter R; Radoux, Chris J; Smilova, Mihaela D; Sykes, Richard A; Higueruelo, Alicia P; Bradley, Anthony R; Marsden, Brian D; Spring, David R; Blundell, Tom L; Leach, Andrew R; Pitt, William R; Cole, Jason C (Journal of chemical information and modeling, 2020)
Keywords: Algorithms; Application programming interface; Applications programs; Binding; Data mining; Hydrogen bonds; Molecular docking; Molecular structure; Proteins; Toolkits; Workflow