"Iso-depth contour map" of a molecular surface.
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).
Badel-Chagnon
A
A
Unité de Recherches Biomathématiques et Biostatistiques, INSERM U263, Université Paris, France.
Nessi
J
J
Buffat
L
L
Hazout
S
S
D003196:Computer Graphics; D008958:Models, Molecular; D008962:Models, Theoretical; D010940:Plant Proteins / Q000737:chemistry*; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*
D010940:Plant Proteins; D011506:Proteins; C024934:crambin protein, Crambe abyssinica