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Compound library design similarity guided

PSSC as Guiding Principle for Compound Library Design 5.1. Protein structure similarity clustering (PSSC)... [Pg.68]

Figure 4. Nature s conservatism and diversity found in a protein structure similarity cluster. The conservatism found in the cluster can be used for the selection of pre-validated guiding structures for compound library design. The chemical diversity of the compound library is needed to address the biological diversity found in the binding sites of the cluster members. Figure 4. Nature s conservatism and diversity found in a protein structure similarity cluster. The conservatism found in the cluster can be used for the selection of pre-validated guiding structures for compound library design. The chemical diversity of the compound library is needed to address the biological diversity found in the binding sites of the cluster members.

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