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Protein and ligand atoms have been defined to keep up a correspondence with one another if they were within a distance of the sum of the van der Waals radii plus zero.5 Å. They used a check set of 10 proteins and located that 100 percent of the contacting atoms had been identified in every case. The main drawback of this technique is that false optimistic protein residues are not taken into consideration. If the complete surface of a protein have been recognized as a predicted binding web site, it might score one hundred
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