Automated structure determination from NMR spectra

scientific article published on 20 September 2008

Automated structure determination from NMR spectra is …
instance of (P31):
review articleQ7318358
scholarly articleQ13442814

External links are
P356DOI10.1007/S00249-008-0367-Z
P698PubMed publication ID18807026

P50authorPeter GüntertQ30158282
P2860cites workApplication of neural networks to automated assignment of NMR spectra of proteins.Q52384937
Automation of protein 2D proton NMR assignment by means of fuzzy mathematics and graph theory.Q52391773
Protein heteronuclear NMR assignments using mean-field simulated annealing.Q54569523
SANE (Structure Assisted NOE Evaluation): an automated model-based approach for NOE assignmentQ57078228
CAMRA: chemical shift based computer aided protein NMR assignmentsQ58234179
Automated assignment of NOESY NMR spectra using a knowledge based method (KNOWNOE)Q62493660
Automated and semiautomated analysis of homo- and heteronuclear multidimensional nuclear magnetic resonance spectra of proteins: the program ProntoQ72431345
An efficient high-throughput resonance assignment procedure for structural genomics and protein folding research by NMRQ77320685
Protein sequential resonance assignments by combinatorial enumeration using 13C alpha chemical shifts and their (i, i-1) sequential connectivitiesQ78422163
NOE assignment with ARIA 2.0: the nuts and boltsQ80468336
The Protein Data BankQ24515306
Consistent blind protein structure generation from NMR chemical shift dataQ24657929
GANA--a genetic algorithm for NMR backbone resonance assignmentQ24812463
Automated NOESY interpretation with ambiguous distance restraints: the refined NMR solution structure of the pleckstrin homology domain from beta-spectrinQ27739804
Using NMRView to visualize and analyze the NMR spectra of macromoleculesQ27860567
The 13C chemical-shift index: a simple method for the identification of protein secondary structure using 13C chemical-shift dataQ27860592
Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANAQ27860611
Refinement of protein structures in explicit solventQ27860639
Automated NMR structure calculation with CYANAQ27860754
Torsion angle dynamics for NMR structure calculation with the new program DYANAQ27860808
NMRPipe: a multidimensional spectral processing system based on UNIX pipesQ27860859
NMR View: A computer program for the visualization and analysis of NMR dataQ27860951
The program XEASY for computer-supported NMR spectral analysis of biological macromoleculesQ27860993
Protein backbone angle restraints from searching a database for chemical shift and sequence homologyQ27861108
Completely automated, highly error-tolerant macromolecular structure determination from multidimensional nuclear overhauser enhancement spectra and chemical shift assignmentsQ28262291
ARIA2: automated NOE assignment and data integration in NMR structure calculationQ28275170
RECOORD: a recalculated coordinate database of 500+ proteins from the PDB using restraints from the BioMagResBankQ29614749
Assembly of protein tertiary structures from fragments with similar local sequences using simulated annealing and Bayesian scoring functionsQ29616398
A two-dimensional nuclear Overhauser enhancement (2D NOE) experiment for the elucidation of complete proton-proton cross-relaxation networks in biological macromoleculesQ29616473
Protein NMR structure determination with automated NOE-identification in the NOESY spectra using the new software ATNOSQ29617863
ARIA: automated NOE assignment and NMR structure calculationQ29620311
The NOESY jigsaw: automated protein secondary structure and main-chain assignment from sparse, unassigned NMR data.Q30327594
The direct determination of protein structure by NMR without assignment.Q30329287
Protein structure elucidation from NMR proton densities.Q30330309
Influence of the completeness of chemical shift assignments on NMR structures obtained with automated NOE assignment.Q30336300
Automation of NMR structure determination of proteins.Q30343738
More reliable protein NMR peak assignment via improved 2-interval scheduling.Q30350375
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A random graph approach to NMR sequential assignment.Q30351267
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An automated assignment-free Bayesian approach for accurately identifying proton contacts from NOESY data.Q30357187
Automated protein structure determination from NMR spectra.Q30357194
Efficient analysis of protein 2D NMR spectra using the software packageEASYQ30359566
Protein structure determination from NMR chemical shiftsQ30362013
KUJIRA, a package of integrated modules for systematic and interactive analysis of NMR data directed to high-throughput NMR structure studies.Q30362931
Automated combined assignment of NOESY spectra and three-dimensional protein structure determinationQ30429430
Automatic determination of protein backbone resonance assignments from triple resonance nuclear magnetic resonance dataQ30656748
Rapid protein fold determination using unassigned NMR dataQ30885931
Rapid NMR data collectionQ30986391
AutoLink: automated sequential resonance assignment of biopolymers from NMR data by relative-hypothesis-prioritization-based simulated logicQ30986444
SideLink: automated side-chain assignment of biopolymers from NMR data by relative-hypothesis-prioritization-based simulated logicQ31037615
De novo determination of protein backbone structure from residual dipolar couplings using RosettaQ31042172
Inferential backbone assignment for sparse dataQ31049370
A relational database for sequence-specific protein NMR dataQ31152811
Automated analysis of NMR assignments and structures for proteins.Q33745471
CLOUDS, a protocol for deriving a molecular proton density via NMR.Q34067316
Protein backbone chemical shifts predicted from searching a database for torsion angle and sequence homologyQ34645831
Determination of protein backbone structures from residual dipolar couplingsQ35659284
Automated analysis of protein NMR assignments and structuresQ35860146
Solution structure of the rhodanese homology domain At4g01050(175-295) from Arabidopsis thalianaQ36476774
Protein three-dimensional structure determination and sequence-specific assignment of 13C and 15N-separated NOE data. A novel real-space ab initio approachQ36676576
The new program OPAL for molecular dynamics simulations and energy refinements of biological macromoleculesQ36831940
A computer-based protocol for semiautomated assignments and 3D structure determination of proteinsQ41507239
Reconsidering complete search algorithms for protein backbone NMR assignmentQ42669848
A novel protocol based on HN(C)N for rapid resonance assignment in ((15)N, (13)C) labeled proteins: implications to structural genomicsQ44020873
MONTE: An automated Monte Carlo based approach to nuclear magnetic resonance assignment of proteinsQ44302556
Automated assignment of simulated and experimental NOESY spectra of proteins by feedback filtering and self-correcting distance geometryQ44523047
Application of distance geometry to the proton assignment problem.Q45955835
Solution structure of the Src homology 2 domain from the human feline sarcoma oncogene Fes.Q46521592
Simultaneous assignment and structure determination of protein backbones by using NMR dipolar couplingsQ47279262
New methods for fast multidimensional NMR.Q47639093
A general Bayesian method for an automated signal class recognition in 2D NMR spectra combined with a multivariate discriminant analysis.Q47740632
Automated sequence-specific NMR assignment of homologous proteins using the program GARANT.Q47740850
AURELIA, a program for computer-aided analysis of multidimensional NMR spectra.Q47740933
Tools for the automated assignment of high-resolution three-dimensional protein NMR spectra based on pattern recognition techniquesQ47791242
PACES: Protein sequential assignment by computer-assisted exhaustive search.Q47888374
NMR assignment of the hypothetical ENTH-VHS domain At3g16270 from Arabidopsis thalianaQ47968099
Automated backbone assignment of labeled proteins using the threshold accepting algorithmQ48005168
Fully automated sequence-specific resonance assignments of hetero- nuclear protein spectra.Q50493587
A common sense approach to peak picking in two-, three-, and four-dimensional spectra using automatic computer analysis of contour diagrams. 1991.Q51479050
Automated NMR structure determination of stereo-array isotope labeled ubiquitin from minimal sets of spectra using the SAIL-FLYA system.Q51812292
Automated sequence-specific protein NMR assignment using the memetic algorithm MATCH.Q51877664
Automated structure determination of proteins with the SAIL-FLYA NMR method.Q51900357
RIBRA--an error-tolerant algorithm for the NMR backbone assignment problem.Q51944576
PASA--a program for automated protein NMR backbone signal assignment by pattern-filtering approach.Q51948742
Automated protein NMR structure determination using wavelet de-noised NOESY spectra.Q51958783
Probabilistic Identification of Spin Systems and their Assignments including Coil-Helix Inference as Output (PISTACHIO).Q51965256
A generalized approach to automated NMR peak list editing: application to reduced dimensionality triple resonance spectra.Q51988599
Semiautomatic sequence-specific assignment of proteins based on the tertiary structure--the program st2nmr.Q52044303
Sequence-specific NMR assignment of proteins by global fragment mapping with the program MAPPER.Q52070463
A tracked approach for automated NMR assignments in proteins (TATAPRO).Q52075975
Automated peak picking and peak integration in macromolecular NMR spectra using AUTOPSY.Q52228034
Using neural network predicted secondary structure information in automatic protein NMR assignment.Q52252858
Automated analysis of protein NMR assignments using methods from artificial intelligence.Q52261972
Automated resonance assignment of proteins using heteronuclear 3D NMR. 2. Side chain and sequence-specific assignment.Q52265642
Automated probabilistic method for assigning backbone resonances of (13C,15N)-labeled proteins.Q52275950
Calculation of protein structures with ambiguous distance restraints. Automated assignment of ambiguous NOE crosspeaks and disulphide connectivities.Q52350736
An automated procedure for the assignment of protein 1HN, 15N, 13C alpha, 1H alpha, 13C beta and 1H beta resonances.Q52372023
Bayesian signal extraction from noisy FT NMR spectra.Q52374133
Evaluation of an algorithm for the automated sequential assignment of protein backbone resonances: a demonstration of the connectivity tracing assignment tools (CONTRAST) software package.Q52378295
Use of fuzzy mathematics for complete automated assignment of peptide 1H 2D NMR spectra.Q52384894
P433issue2
P304page(s)129-143
P577publication date2008-09-20
P1433published inEuropean Biophysics JournalQ5412316
P1476titleAutomated structure determination from NMR spectra
P478volume38

Reverse relations

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