Related ArticlesStructural-functional bioinformatics: knowledge-based NMR interpretation.
Stud Health Technol Inform. 1998;52 Pt 1:365-6
Authors: Kulikowski CA, Zimmerman D, Montelione G, Anderson S
This paper describes a knowledge-based approach to a problem of structural-functional bioinformatics, specifically the determination of protein structure through the automated analysis of NMR data. Highly successful results in carrying out sequence-specific assignments of residues from multidimensional NMR datasets has led us to automation of NOE dataset interpretation and a design for integrating these results with other protein structure and function analysis programs.
Visualizing the principal component of (1)H, (15)N-HSQC NMR spectral changes that reflect protein structural or functional properties: application to troponin C.
Visualizing the principal component of (1)H, (15)N-HSQC NMR spectral changes that reflect protein structural or functional properties: application to troponin C.
Visualizing the principal component of (1)H, (15)N-HSQC NMR spectral changes that reflect protein structural or functional properties: application to troponin C.
J Biomol NMR. 2011 Sep;51(1-2):115-22
Authors: Robertson IM, Boyko RF, Sykes BD
Abstract
Laboratories often repeatedly determine the structure of a given protein under a variety of conditions,...
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09-30-2011 06:00 AM
Cracking the molecular weight barrier: Fragment screening of an aminotransferase using an NMR-based functional assay.
Cracking the molecular weight barrier: Fragment screening of an aminotransferase using an NMR-based functional assay.
Cracking the molecular weight barrier: Fragment screening of an aminotransferase using an NMR-based functional assay.
Bioorg Med Chem Lett. 2011 Jul 21;
Authors: Mendoza R, Petros AM, Liu Y, Thimmapaya R, Surowy CS, Leise WF, Pereda-Lopez A, Panchal SC, Sun C
NMR-based screening of protein targets has become a well established part of the drug discovery process especially with respect to fragments. However, as target size increases...
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08-16-2011 01:19 PM
Knowledge-based nonuniform sampling in multidimensional NMR
Knowledge-based nonuniform sampling in multidimensional NMR
Abstract The full resolution afforded by high-field magnets is rarely realized in the indirect dimensions of multidimensional NMR experiments because of the time cost of uniformly sampling to long evolution times. Emerging methods utilizing nonuniform sampling (NUS) enable high resolution along indirect dimensions by sampling long evolution times without sampling at every multiple of the Nyquist sampling interval. While the earliest NUS approaches matched the decay of sampling density to the decay of the signal envelope, recent...
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06-06-2011 12:53 AM
[NMR paper] Interpretation of NMR relaxation properties of Pin1, a two-domain protein, based on B
Interpretation of NMR relaxation properties of Pin1, a two-domain protein, based on Brownian dynamic simulations.
Related Articles Interpretation of NMR relaxation properties of Pin1, a two-domain protein, based on Brownian dynamic simulations.
J Biomol NMR. 2004 May;29(1):21-35
Authors: Bernadó P, Fernandes MX, Jacobs DM, Fiebig K, García de la Torre J, Pons M
Many important proteins contain multiple domains connected by flexible linkers. Inter-domain motion is suggested to play a key role in many processes involving molecular recognition....
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11-24-2010 09:51 PM
[NMR paper] Automated assignment of NOESY NMR spectra using a knowledge based method (KNOWNOE).
Automated assignment of NOESY NMR spectra using a knowledge based method (KNOWNOE).
Related Articles Automated assignment of NOESY NMR spectra using a knowledge based method (KNOWNOE).
J Biomol NMR. 2002 Aug;23(4):271-87
Authors: Gronwald W, Moussa S, Elsner R, Jung A, Ganslmeier B, Trenner J, Kremer W, Neidig KP, Kalbitzer HR
Automated assignment of NOESY spectra is a prerequisite for automated structure determination of biological macromolecules. With the program KNOWNOE we present a novel, knowledge based approach to this problem. KNOWNOE...
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11-24-2010 08:58 PM
[NMR paper] NMR structure determination and structure-based functional characterization of conser
NMR structure determination and structure-based functional characterization of conserved hypothetical protein MTH1175 from Methanobacterium thermoautotrophicum.
Related Articles NMR structure determination and structure-based functional characterization of conserved hypothetical protein MTH1175 from Methanobacterium thermoautotrophicum.
J Struct Funct Genomics. 2000;1(1):15-25
Authors: Cort JR, Yee A, Edwards AM, Arrowsmith CH, Kennedy MA
The solution structure of MTH1175, a 124-residue protein from the archaeon Methanobacterium...
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11-18-2010 09:15 PM
Robust structure-based resonance assignment for functional protein studies by NMR
Abstract High-throughput functional protein NMR studies, like protein interactions or dynamics, require an automated approach for the assignment of the protein backbone. With the availability of a growing number of protein 3D structures, a new class of automated approaches, called structure-based assignment, has been developed quite recently. Structure-based approaches use primarily NMR input data that are not based on J-coupling and for which connections between residues are not limited by through bonds magnetization transfer efficiency. We present here a robust structure-based assignment...
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08-14-2010 04:19 AM
NMR in Structural Biology - Alessandro Pintar, Protein Structure and Bioinformatics, ICGEB, Trieste
Nuclear Magnetic Resonance in Structural Biology - Alessandro Pintar, Protein Structure and Bioinformatics, ICGEB, Trieste
Thanks to advancements both in the theory and in the instrumentation, Nuclear Magnetic Resonance (NMR) has widened its use from small organic molecules to oligosaccharides, peptides, proteins, and nucleic acids. Together with X-ray crystallography, NMR is the only technique that can provide structural information at the atomic level. However, applications of NMR are not limited to 3D structure calculation: it can be used to study flexible biomolecules (peptides,...
Structural-functional bioinformatics: knowledge-based NMR interpretation.
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