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. 1982 Jun;79(12):3754-8.
doi: 10.1073/pnas.79.12.3754.

Electrostatic potential molecular surfaces

P K Weiner, R Langridge, J M Blaney, R Schaefer, P A Kollman

Electrostatic potential molecular surfaces

P K Weiner et al. Proc Natl Acad Sci U S A. 1982 Jun.

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.

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