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Metric matrix embedding in protein structure calculations, NMR spectra analysis, and relaxation theory
Author(s) -
Havel Timothy F.
Publication year - 2003
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1242
Subject(s) - chemistry , nuclear magnetic resonance spectroscopy , nmr spectra database , formalism (music) , embedding , computational chemistry , spectral line , quantum mechanics , physics , stereochemistry , computer science , art , musical , artificial intelligence , visual arts
This paper outlines the various applications of metric matrix embedding that I have made in the course of my career to date. This ongoing saga starts with my PhD work on protein folding by distance geometry, highlights the structure calculations done during postdoctoral work with Kurt Wüthrich (1982–84), and then goes on to protein homology modeling, the computer‐aided analysis of NMR spectra, and NMR relaxation theory using the Lindblad formalism. It closes with a brief discussion of NMR‐based quantum computing and how it is changing the face of NMR spectroscopy. Copyright © 2003 John Wiley & Sons, Ltd.