This conclusion was substantiated by NMR titration studies, in which similar amide 15 N and 1 H chemical shift change patterns were obtained for all three peptide–PTB domain complexes.

Institute of Pharmaceutical Sciences, University of Freiburg, Albertstr. 25, 79104 Freiburg, Germany ...

Importantly, we verified that the ML model is not just exploiting a unique pattern or bias to select high-scoring molecules by analyzing the similarity between all of the pairs of molecules in the top ...