[NMR paper] Robust automated backbone triple resonance NMR assignments of proteins using Bayesian-based simulated annealing
Robust automated backbone triple resonance NMR assignments of proteins using Bayesian-based simulated annealing
Assignment of resonances of nuclear magnetic resonance (NMR) spectra to specific atoms within a protein remains a labor-intensive and challenging task. Automation of the assignment process often remains a bottleneck in the exploitation of solution NMR spectroscopy for the study of protein structure-dynamics-function relationships. We present an approach to the assignment of backbone triple resonance spectra of proteins. A Bayesian statistical analysis of predicted and observed...
[NMR paper] Automated assignment of NMR spectra of macroscopically oriented proteins using simulated annealing.
Automated assignment of NMR spectra of macroscopically oriented proteins using simulated annealing.
Related Articles Automated assignment of NMR spectra of macroscopically oriented proteins using simulated annealing.
J Magn Reson. 2018 Jun 16;293:104-114
Authors: Lapin J, Nevzorov AA
Abstract
An automated technique for the sequential assignment of NMR backbone resonances of oriented protein samples has been developed and tested based on 15N-15N homonuclear exchange and spin-exchanged separated local-field spectra. By treating the...
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[NMR paper] Automated assignment of NMR spectra of macroscopically oriented proteins using simulated annealing
Automated assignment of NMR spectra of macroscopically oriented proteins using simulated annealing
Publication date: August 2018
Source:Journal of Magnetic Resonance, Volume 293</br>
Author(s): Joel Lapin, Alexander A. Nevzorov</br>
An automated technique for the sequential assignment of NMR backbone resonances of oriented protein samples has been developed and tested based on 15N-15N homonuclear exchange and spin-exchanged separated local-field spectra. By treating the experimental spectral intensity as a pseudopotential, the Monte-Carlo Simulated Annealing...
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06-18-2018 10:45 AM
[NMR paper] Backbone structure of Yersinia pestis Ail determined in micelles by NMR-restrained simulated annealing with implicit membrane solvation.
Backbone structure of Yersinia pestis Ail determined in micelles by NMR-restrained simulated annealing with implicit membrane solvation.
Backbone structure of Yersinia pestis Ail determined in micelles by NMR-restrained simulated annealing with implicit membrane solvation.
J Biomol NMR. 2015 Jul 5;
Authors: Marassi FM, Ding Y, Schwieters CD, Tian Y, Yao Y
Abstract
The outer membrane protein Ail (attachment invasion locus) is a virulence factor of Yersinia pestis that mediates cell invasion, cell attachment and complement...
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07-06-2015 04:35 PM
[NMR paper] Protein heteronuclear NMR assignments using mean-field simulated annealing.
Protein heteronuclear NMR assignments using mean-field simulated annealing.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Protein heteronuclear NMR assignments using mean-field simulated annealing.
J Magn Reson. 1997 Mar;125(1):34-42
Authors: Buchler NE, Zuiderweg ER, Wang H, Goldstein RA
A computational method for the assignment of the NMR spectra of larger (21 kDa) proteins using a set of six of the most sensitive heteronuclear multidimensional nuclear magnetic...
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[NMR paper] Protein heteronuclear NMR assignments using mean-field simulated annealing.
Protein heteronuclear NMR assignments using mean-field simulated annealing.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Protein heteronuclear NMR assignments using mean-field simulated annealing.
J Magn Reson. 1997 Mar;125(1):34-42
Authors: Buchler NE, Zuiderweg ER, Wang H, Goldstein RA
A computational method for the assignment of the NMR spectra of larger (21 kDa) proteins using a set of six of the most sensitive heteronuclear multidimensional nuclear magnetic...
Robust automated backbone triple resonance NMR assignments of proteins using Bayesian-based simulated annealing - Nature.com
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