Figure 5
From: Local functional descriptors for surface comparison based binding prediction
Shown here are two possible conformations for Adenosine Triphosphate (ATP). Note that the distances between atoms within the rigid adenine moiety do not change. Distances between non-rigid components, such as those between the ‘C8’ and ‘O3A’ atoms, may change dramatically. As these will be used later to combine atomic predictions, the observed minimum and maximum distances between each pair of atoms are stored during the training phase.