Theoretical studies of the electrostatic potential of some enzyme inhibitors using computer graphics techniques

Theoretical studies of the electrostatic potential of some enzyme inhibitors using computer graphics techniques

A molecular graphics program is described for the depiction of electrostatic potentials on the van der Waals surface of molecules, using colored polygons. An example is given on the application of this method to the study of coumarins and flavones that inhibit the enzyme Glyoxalase I.

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Veröffentlicht in:Journal of molecular graphics 1988, Vol.6 (3), p.171-177
Hauptverfasser: Thomson, Colin, Higgins, Derek, Edge, Colin
Format: Artikel
Sprache:eng
Schlagworte:
computer graphics
electric potential
electrostatic potential
enzyme inhibitors
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Beschreibung
Zusammenfassung:A molecular graphics program is described for the depiction of electrostatic potentials on the van der Waals surface of molecules, using colored polygons. An example is given on the application of this method to the study of coumarins and flavones that inhibit the enzyme Glyoxalase I.
ISSN:0263-7855
DOI:10.1016/0263-7855(88)80071-7