Author(s): Weiner PK, Langridge R, Blaney JM, Schaefer R, Kollman PA
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Abstract Color-coded computer graphics representations of the electrostatic potentials of trypsin, trypsin-inhibitor, prealbumin and its thyroxine complex, fragments of double-helical DNA, and a netropsin--DNA complex illustrate the electrostatic and topographic complementarity in macromolecule-ligand interactions. This approach is powerful in revealing intermolecular specificity and shows promise of having predictive value in drug design.
This article was published in Proc Natl Acad Sci U S A
and referenced in Pharmaceutica Analytica Acta