Identification of Noncompetitive Protein-Ligand Interactions for Structural Optimization. - Andreas Tosstorff; Jason C. Cole; Robin Taylor; Seth F. Harris; Bernd Kuhn (J. Chem. Inf. Model., 2020)

A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. - Andreas Tosstorff; Markus G. Rudolph; Jason C. Cole; Michael Reutlinger; Christian Kramer; Hervé Schaffhauser; Agnès Nilly; Alexander Flohr; Bernd Kuhn (J. Comput. Aided Mol. Des., 2022)