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where Ar ^ 0. A set of 697 protein-ligand complexes (taken from Reference 27) is chosen. The midpoint of each protein is found by using an iterative numerical procedure. One probe sphere is chosen per protein and the average occurrence of protein atoms of type j is determined and averaged over all protein structures. For each protein, pJ(r) is scaled by the ratio of protein heavy atoms in the sphere, p rmi (r ), and the optimum number of protein atoms p (r ) determined before.

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