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J Mol Graph. 1994 Sep;12(3):162-8, 193.

"Iso-depth contour map" of a molecular surface.

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Unité de Recherches Biomathématiques et Biostatistiques, INSERM U263, Université Paris, France.


The representation and display of protein surfaces are useful in many areas of molecular modeling, and surface shape study is particularly important in the analysis of protein-ligand interactions. We introduce here the notion of the molecular surface convex hull, allowing the depth of any molecular surface point to be defined. A two-dimensional (2D) map, the iso-depth contour map, and a three-dimensional (3D) representation, the iso-depth lines, allow the topography of a molecular surface to be displayed in terms of knobs (high depth) and holes (low depth).

[Indexed for MEDLINE]

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