Fast and versatile sequence-independent protein docking for nanomaterials design using RPXDock
Fig 3
Schematic representation of hierarchical sampling.
A. Schematic of a search grid for a single DOF keeping only the transforms that passed hierarchical scoring (blue) at each stage of search. This reduces the space searched at later stages where the search grid is subdivided at increasing resolution. B. A schematic depiction of protein backbones sampled with increasing resolution. The backbones shown would correspond to a single blue box at each stage of the search depicted in panel A; a cloud of such backbones would be sampled for each of the distinct docked configurations corresponding to each blue box. C. Residue-pair motifs are also evaluated at increasing resolution during each iteration of the search.