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Using the same set of 4997 derivative structures of 1A1Z: A) energy-based evaluation of the derivative structures as a function of their similarity to the native structure measured by BBRMSD; B) linear regression analysis of structural viability utilizing SCOPE’s energy profile (scaled Van der Waal and scaled electrostatic energy terms); C) linear regression analysis of structural viability utilizing SCOPE’s energy profile and the inclusion of a hydrogen bond energy term.
