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Title: Developing
computational tools for NMR: the early days of protein NMR
Author(s): Braun
W
Source: MAGNETIC
RESONANCE IN CHEMISTRY 41: S51-S55 Sp. Iss. SI, OCT 2003
Document Type: Article
Language: English
Abstract: This article describes the personal memories of the author on the early developments of computational methods for protein structure determination in the laboratory of Kurt Wuthrich from 1977 to the 1990's. The computational problem to solve protein structures from NMR structures needed sophisticated computational and mathematical approaches; some of the technical problems were related to the limited memory capabilities of the computer hardware at that time. Competition and collaboration between X-ray crystallographers and NMR was intensely intertwined in the early days of protein NMR, and provided the driving force to establish the NMR method as a second method for high-resolution structure determination. Kurt's vision on the power of NMR and his faith in theoreticians made his laboratory a fruitful place for co-workers with different scientific background. Copyright (C) 2003 John Wiley Sons, Ltd.
Abstract: This article describes the personal memories of the author on the early developments of computational methods for protein structure determination in the laboratory of Kurt Wuthrich from 1977 to the 1990's. The computational problem to solve protein structures from NMR structures needed sophisticated computational and mathematical approaches; some of the technical problems were related to the limited memory capabilities of the computer hardware at that time. Competition and collaboration between X-ray crystallographers and NMR was intensely intertwined in the early days of protein NMR, and provided the driving force to establish the NMR method as a second method for high-resolution structure determination. Kurt's vision on the power of NMR and his faith in theoreticians made his laboratory a fruitful place for co-workers with different scientific background. Copyright (C) 2003 John Wiley Sons, Ltd.
Author Keywords: distance
geometry; variable target function; DISMAN; DIANA; BPTI; alpha-amylase
inhibitor; metallothionein
KeyWords Plus: NUCLEAR-MAGNETIC-RESONANCE;
AMYLASE INHIBITOR TENDAMISTAT; PROTON DISTANCE CONSTRAINTS;
X-RAY-DIFFRACTION; AQUEOUS-SOLUTION; 3-DIMENSIONAL STRUCTURE;
POLYPEPTIDE FOLD; AMINO-ACIDS; GEOMETRY; CONFORMATION
Addresses: Braun
W (reprint author), Univ Texas, Med Branch, Sealy Ctr Struct Biol, Dept
Human Biol Chem & Genet, Galveston, TX 77555 USA
Univ Texas, Med Branch, Sealy Ctr Struct Biol, Dept Human Biol Chem & Genet, Galveston, TX 77555 USA
Univ Texas, Med Branch, Sealy Ctr Struct Biol, Dept Human Biol Chem & Genet, Galveston, TX 77555 USA
Publisher: JOHN
WILEY & SONS LTD, THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W
SUSSEX, ENGLAND
Subject
Category: CHEMISTRY, MULTIDISCIPLINARY; CHEMISTRY,
PHYSICAL; SPECTROSCOPY
IDS Number: 731LD
ISSN: 0749-1581
