Kinetic Rate Constant Prediction Supports the Conformational Selection Mechanism of Protein Binding
Figure 2
A Venn Diagram showing the four combinations of training, model selection and validation sets.
Rectangles corresponds to all 137 complexes in the binding affinity benchmark [12]. The left circle corresponds to the 44 complexes for which kinetic data could be found. The right circle corresponds to the set of 57 complexes with high confidence affinities. These are the complexes for which similar affinities have been determined in multiple experimental setups, as previously determined [13]. The intersection of these sets contains 27 complexes.