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Figure 1 | BMC Bioinformatics

Figure 1

From: Setting up a large set of protein-ligand PDB complexes for the development and validation of knowledge-based docking algorithms

Figure 1

Illustration of the new definition of intermolecular atomic contact. A) Distance criterion: all atoms within a threshold distance are in contact. According to this, the oxygen OA and the carbon are considered as being in contact. B) Surface criterion: two atoms are in contact only if their corresponding surfaces are close enough across an area of at least 1.5 Ã…2.

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