Wavelets and molecular structure.

M Carson

doi:10.1007/bf00124497

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PubMed · 8877699

Wavelets and molecular structure.

M Carson

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Abstract

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.

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Computer-Aided Design Drug Design Humans Mathematics Models, Molecular Molecular Structure Protein Conformation Protein Folding Signal Processing, Computer-Assisted Journal Article

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M Carson. 1996. Wavelets and molecular structure.. https://doi.org/10.1007/bf00124497

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