Electrostatic potential molecular surfaces. | Zendy

Paul K. Weiner | Zendy; Robert Langridge | Zendy; Jeffrey M. Blaney | Zendy; Rafael F. Schaefer | Zendy; Peter A. Kollman | Zendy

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Electrostatic potential molecular surfaces.

Author(s) -

Paul K. Weiner,

Robert Langridge,

Jeffrey M. Blaney,

Rafael F. Schaefer,

Peter A. Kollman

Publication year - 1982

Publication title -

proceedings of the national academy of sciences

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.011

H-Index - 771

eISSN - 1091-6490

pISSN - 0027-8424

DOI - 10.1073/pnas.79.12.3754

Subject(s) - netropsin , complementarity (molecular biology) , macromolecule , electrostatics , dna , chemistry , computer graphics , trypsin , molecular graphics , ligand (biochemistry) , biophysics , crystallography , biology , biochemistry , computer science , computer graphics (images) , genetics , enzyme , receptor , minor groove

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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