Title :
3D-Extraction of molecular surface knobs and holes for the study of complex formation
Author :
Badel-Chagnon, Anne ; Hazout, Serge
Author_Institution :
INSERM, Univ. Paris 7, Paris, France
fDate :
Oct. 29 1992-Nov. 1 1992
Abstract :
A method for the visualization of knobs and holes in a molecular surface is presented here. After the calculation of the convex hull of the molecular surface, the global shape features, holes and knobs can be determined and visualized. This is the first stage of the docking problem.
Keywords :
biochemistry; biology computing; feature extraction; molecular biophysics; molecular configurations; proteins; 3D extraction; complex formation; convex hull; docking problem; global shape features; molecular surface holes; molecular surface knobs; Visualization;
Conference_Titel :
Engineering in Medicine and Biology Society, 1992 14th Annual International Conference of the IEEE
Conference_Location :
Paris
Print_ISBN :
0-7803-0785-2
Electronic_ISBN :
0-7803-0816-6
DOI :
10.1109/IEMBS.1992.5760927
