Computing a new family of shape descriptors for protein structures.
The large-scale 3D structure of a protein can be represented by the polygonal curve through the carbon alpha atoms of the protein backbone. We introduce an algorithm for computing the average number of times that a given configuration of crossings on such polygonal curves is seen, the average being taken over all directions in space. Hereby, we introduce a new family of global geometric measures of protein structures, which we compare with the so-called generalized Gauss integrals.
Røgen
Peter
P
Department of Mathematics, Technical University of Denmark, DK-2800 Kgs Lyngby, Denmark. Peter.Roegen@mat.dtu.dk
Sinclair
Robert
R
D000293:Adolescent; D002648:Child; D002675:Child, Preschool; D005260:Female; D008401:Gas Chromatography-Mass Spectrometry; D006801:Humans; D007118:Immunoassay; D008297:Male; D004364:Pharmaceutical Preparations / Q000032:analysis*; D015813:Substance Abuse Detection; D019966:Substance-Related Disorders / Q000175:diagnosis* / Q000453:epidemiology
D004364:Pharmaceutical Preparations