Calculation of structural similarity by the alignment of molecular electrostatic potentials

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Thorner, D.A., Wild, D.J., Willett, P. et al. Calculation of structural similarity by the alignment of molecular electrostatic potentials. Perspectives in Drug Discovery and Design 9, 301–320 (1998).

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  • Polymer
  • Electrostatic Potential
  • Molecular Electrostatic Potential