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[NMR paper] Ab initio folding simulation of the Trp-cage mini-protein approaches NMR resolution.
Ab initio folding simulation of the Trp-cage mini-protein approaches NMR resolution.
Related Articles Ab initio folding simulation of the Trp-cage mini-protein approaches NMR resolution.
J Mol Biol. 2003 Mar 28;327(3):711-7
Authors: Chowdhury S, Lee MC, Xiong G, Duan Y
Here, we report a 100 ns molecular dynamics simulation of the folding process of a recently designed autonomous-folding mini-protein designated as tc5b with a new AMBER force field parameter set developed based on condensed-phase quantum mechanical calculations and a Generalized...
nmrlearner
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11-24-2010 09:01 PM
[NMR paper] A thermophilic mini-chaperonin contains a conserved polypeptide-binding surface: comb
A thermophilic mini-chaperonin contains a conserved polypeptide-binding surface: combined crystallographic and NMR studies of the GroEL apical domain with implications for substrate interactions.
Related Articles A thermophilic mini-chaperonin contains a conserved polypeptide-binding surface: combined crystallographic and NMR studies of the GroEL apical domain with implications for substrate interactions.
J Mol Biol. 2001 Feb 23;306(3):513-25
Authors: Hua Q, Dementieva IS, Walsh MA, Hallenga K, Weiss MA, Joachimiak A
A homologue of the...
nmrlearner
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11-19-2010 08:32 PM
[U. of Ottawa NMR Facility Blog] Faster Relaxation Time Measurements in Solids
Faster Relaxation Time Measurements in Solids
T1 relaxation times are typically measured with the inversion recovery technique. In this method the magnetization is inverted and its recovery is monitored as a function of time. For nuclei with long T1's, the measurements are very time consuming as a recycle delay of at least five times T1 must be used between scans. Typical T1's for 13C in the solid state range from several seconds to tens of minutes, so their direct measurement via the inversion recovery method could be prohibitively long.
High resolution 13C solid state NMR spectra of...
nmrlearner
News from NMR blogs
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08-21-2010 08:15 PM
[NMR software blog] Faster Faster Faster
Faster Faster Faster
Our machines, even when hitting an apparent performance peak, only run at one small fraction of their true potential speed. I feel that today's computers and their software are OK for routine spectra. I couldn't ask for more. Other spectra are quite large, however, and I must wait a few seconds during processing. Without going into the third dimension, consider these novel experiments to measure long range heteronuclear Js. Each row contains at least 4096 points. Quite likely we are going to see larger rows in the next few years. The time required to compute the FFT is...
nmrlearner
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08-21-2010 06:29 PM
HIFI-NMR: 10 times faster than regular NMR
High-Resolution Iterative Frequency Identification for NMR as a General Strategy for Multidimensional Data Collection
Hamid R. Eghbalnia, Arash Bahrami, Marco Tonelli, Klaas Hallenga, and John L. Markley
J. Am. Chem. Soc.; 2005; 127(36) pp 12528 - 12536
http://pubs.acs.org/isubscribe/journals/jacsat/127/i36/figures/ja052120in00001.gif
Abstract:
We describe a novel approach to the rapid collection and processing of multidimensional NMR data: "high-resolution iterative frequency identification for NMR" (HIFI-NMR). As with other reduced dimensionality approaches, HIFI-NMR collects...
$200 'Mini' NMR detects cancer faster and cheaper than full biopsies -- Engadget
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