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BIOINFORMATICS Reconsidering Complete Search Algorithms for Protein Backbone NMR Assignment

by Olga Vitek A, Chris Bailey-kellogg B, Bruce Craig A, Paul Kuliniewicz C
"... Motivation: Nuclear magnetic resonance (NMR) spectroscopy is widely used to determine and analyze protein structures. An essential step in NMR studies is determining the backbone resonance assignment, which maps individual atoms to experimentally measured resonance frequencies. Performing assignment ..."
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Motivation: Nuclear magnetic resonance (NMR) spectroscopy is widely used to determine and analyze protein structures. An essential step in NMR studies is determining the backbone resonance assignment, which maps individual atoms to experimentally measured resonance frequencies. Performing

The three-dimensional structure of phoratoxin in solution: combined use of nuclear magnetic resonance, distance geometry, and restrained molecular dynamics, Biochemistry 26

by G. Marius Clore, Dinesh K. Sukumaran, Michael Nilges, Angela M. Gronenborn , 1987
"... ABSTRACT: The solution conformation of phoratoxin, a 46-residue plant protein, has been investigated by 'H nuclear magnetic resonance ( N M R) spectroscopy. The spectrum is assigned in a sequential manner by a combination of two-dimensional N M R techniques to demonstrate through-bond and thro ..."
Abstract - Cited by 1 (1 self) - Add to MetaCart
ABSTRACT: The solution conformation of phoratoxin, a 46-residue plant protein, has been investigated by 'H nuclear magnetic resonance ( N M R) spectroscopy. The spectrum is assigned in a sequential manner by a combination of two-dimensional N M R techniques to demonstrate through

A HAUSDORFF-BASED NOE ASSIGNMENT ALGORITHM USING PROTEIN BACKBONE DETERMINED FROM RESIDUAL DIPOLAR COUPLINGS AND ROTAMER PATTERNS

by Jianyang (Michael) Zeng, Chittaranjan Tripathy, Pei Zhou, Bruce R. Donald
"... High-throughput structure determination based on solution Nuclear Magnetic Resonance (NMR) spectroscopy plays an important role in structural genomics. One of the main bottlenecks in NMR structure determination is the interpretation of NMR data to obtain a sufficient number of accurate distance rest ..."
Abstract - Cited by 6 (6 self) - Add to MetaCart
High-throughput structure determination based on solution Nuclear Magnetic Resonance (NMR) spectroscopy plays an important role in structural genomics. One of the main bottlenecks in NMR structure determination is the interpretation of NMR data to obtain a sufficient number of accurate distance

Robust iterative fitting of multilinear models

by Sergiy A. Vorobyov, Yue Rong, Student Member, Nicholas D. Sidiropoulos, Senior Member, Alex B. Gershman, Senior Member - IEEE Transactions on Signal Processing , 2005
"... Abstract—Parallel factor (PARAFAC) analysis is an extension of low-rank matrix decomposition to higher way arrays, also referred to as tensors. It decomposes a given array in a sum of multilinear terms, analogous to the familiar bilinear vector outer products that appear in matrix decomposition. PAR ..."
Abstract - Cited by 29 (3 self) - Add to MetaCart
. PARAFAC analysis generalizes and unifies common array processing models, like joint diagonalization and ESPRIT; it has found numerous applications from blind multiuser detection and multidimensional harmonic retrieval, to clustering and nuclear magnetic resonance. The prevailing fitting algorithm in all

THE ANALYSIS OF COUPLING NETWORKS IN A COMPLEX OLIGOSACCHARIDE MIXTURE DERIVED FROM THE Fc REGION OF RABBIT IMMUNOGLOBULIN G USING 1 H- i H CORRELATED NMR SPECTROSCOPY COMBINED WITH DOUBLE QUANTUM NMR SPECTROSCOPY

by Steve W. Homans, Raymond A. Dwek, Daryl L. Fernandes, Thomas W. Rademacher , 1983
"... In glycoproteins, even for those containing a single glycosylation site, diversity is manifest in the occurrence of a family of structurally-related yet distinct oligosaccharides. To date this 'microheterogeneity ' is universal in mammalian glycoproteins. A method is described, using IH-IH ..."
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-IH correlated and double quantum nuclear magnetic resonance NMR spectroscopy, for the assignment of proton resonances within a mixture of complex-type oligosaccharides derived from the Fc region of rabbit immunoglobulin G. The ability to assign resonances in heterogeneous populations will be of importance

PROTEINS: Structure, Function, and Genetics 32:26–42 (1998) AmbiPack: A Systematic Algorithm for Packing of Macromolecular Structures With Ambiguous Distance Constraints

by Cheuk-san Edward Wang, Tomás Lozano-pérez, Bruce Tidor
"... ABSTRACT The determination of structures of multimers presents interesting new challenges. The structure(s) of the individual monomers must be found and the transformations to produce the packing interfaces must be described. A substantial difficulty results from ambiguities in assigning intermolecu ..."
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intermolecular distance measurements (from nuclear magnetic resonance, for example) to particular intermolecular interfaces in the structure. Here we present a rapid and efficient method to solve the packing and the assignment problems simultaneously given rigid monomer structures and (potentially ambiguous

Neurocomputing 69 (2006) 497--522

by Separation Of Water, K. Stadlthanner A, A. M. Tome B, F. J. Theis A, E. W. Lang A, W. Gronwald C, H. R. Kalbitzer C , 2005
"... Multidimensional proton nuclear magnetic resonance spectra of biomolecules dissolved in aqueous solutions are usually contaminated by an intense water artifact. We discuss the application of a generalized eigenvalue decomposition (GEVD) method using a matrix pencil to solve the blind source separati ..."
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Multidimensional proton nuclear magnetic resonance spectra of biomolecules dissolved in aqueous solutions are usually contaminated by an intense water artifact. We discuss the application of a generalized eigenvalue decomposition (GEVD) method using a matrix pencil to solve the blind source

High Resolution 3D Exchange NMR Spectroscopy and the Mapping of Connectivities between Half-integer Quadrupolar Nuclei

by Julia Grinshtein, Lucio Frydman , 2002
"... The nuclear magnetic resonance (NMR) of spin S> 1/2 nuclei is usually dominated by their quadrupolar nature.1 Due to the anisotropy of this interaction, solid-state spectra of half-integer quadrupole nuclei have generally been restricted to the observation of central-1/2 T +1/2 transitions. Centr ..."
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The nuclear magnetic resonance (NMR) of spin S> 1/2 nuclei is usually dominated by their quadrupolar nature.1 Due to the anisotropy of this interaction, solid-state spectra of half-integer quadrupole nuclei have generally been restricted to the observation of central-1/2 T +1/2 transitions

NMR Solvent Peak Suppression by Piecewise Polynomial Truncated Singular Value Decomposition Methods

by Daesung Kim, Hyekyoung Lee, Youngdo Won, Dai-gyoung Kim, Youngwoo Lee, Hoshik Won , 2003
"... A new modified singular value decomposition method, piecewise polynomial truncated SVD (PPTSVD), which was originally developed to identify discontinuity of the earth’s radial density function, has been used for large solvent peak suppression and noise elimination in nuclear magnetic resonance (NMR) ..."
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A new modified singular value decomposition method, piecewise polynomial truncated SVD (PPTSVD), which was originally developed to identify discontinuity of the earth’s radial density function, has been used for large solvent peak suppression and noise elimination in nuclear magnetic resonance (NMR

Robust iterative fitting of multilinear models based on linear programming

by Sergiy A. Vorobyov, Yue Rong, Nicholas D. Sidiropoulos, Alex B. Gershman - in Proc. IEEE Int. Conference on Acoustics, Speech, and Signal Processing (ICASSP
"... PARAllel FACtor (PARAFAC) analysis is an extension of low-rank matrix decomposition to higher-way arrays. It decomposes a given array in a sum of multilinear terms. PARAFAC analysis generalizes and unifies common array processing models (like joint diagonalization and ESPRIT); it has found numerous ..."
Abstract - Cited by 1 (1 self) - Add to MetaCart
applications from blind multiuser detection and multi-dimensional harmonic retrieval, to clustering and nuclear magnetic resonance. The prevailing fitting algorithm in all these applications is based on alternating least squares (ALS) optimization, which is matched to Gaussian noise. In many cases, however
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