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Voronoi binding site model of a polycyclic aromatic hydrocarbon binding protein

โœ Scribed by Boulu, Laurent G.; Crippen, Gordon M.; Barton, Hugh A.; Kwon, Hoonjeong; Marletta, Michael A.

Book ID
126877044
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
636 KB
Volume
33
Category
Article
ISSN
0022-2623

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๐Ÿ“œ SIMILAR VOLUMES

Voronoi binding site models: Calculation
Voronoi binding site models: Calculation of binding modes and influence of drug binding data accuracy
โœ Laurent G. Boulu; Gordon M. Crippen ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 824 KB

A new and accurate method for calculating the geometrically allowed modes of binding of a ligand molecule to a Voronoi site model is reported. It is shown that the feasibility of the binding of a group of atoms to a Voronoi site reduces to a simple set of linear and quadratic inequalities and quadra