Wavelets and molecular structure.
The wavelet method offers possibilities for display, editing, and topological comparison of proteins at a user-specified level of detail. Wavelets are a mathematical tool that first found application in signal processing. The multiresolution analysis of a signal via wavelets provides a hierarchical series of "best' lower-resolution approximations. B-spline ribbons model the protein fold, with one control point per residue. Wavelet analysis sets limits on the information required to define the winding of the backbone through space, suggesting a recognizable fold is generated from a number of points equal to 1/4 or less the number of residues. Wavelets applied to surfaces and volumes show promise in structure-based drug design.
Carson
M
M
Center for Macromolecular Crystallography, University of Alabama at Birmingham 35294, USA.
D017076:Computer-Aided Design; D015195:Drug Design; D006801:Humans; D008433:Mathematics; D008958:Models, Molecular; D015394:Molecular Structure; D011487:Protein Conformation; D017510:Protein Folding; D012815:Signal Processing, Computer-Assisted