NMR of Proteins and Nucleic Acids, 1986. ,
Calculation of Protein Structures with Ambiguous Distance Restraints. Automated Assignment of Ambiguous NOE Crosspeaks and Disulphide Connectivities, Journal of Molecular Biology, vol.245, issue.5, pp.645-660, 1995. ,
DOI : 10.1006/jmbi.1994.0053
Ambiguous NOEs and automated NOE assignment, Progress in Nuclear Magnetic Resonance Spectroscopy, vol.32, issue.2, pp.107-139, 1998. ,
DOI : 10.1016/S0079-6565(97)00025-3
Automated Assignment of Ambiguous Nuclear Overhauser Effects with ARIA, Methods Enzymol, vol.339, pp.71-90, 2001. ,
DOI : 10.1016/S0076-6879(01)39310-2
ARIA: automated NOE assignment and NMR structure calculation, Bioinformatics, vol.19, issue.2, pp.315-316, 2003. ,
DOI : 10.1093/bioinformatics/19.2.315
URL : http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.215.2750
ARIA2: Automated NOE assignment and data integration in NMR structure calculation, Bioinformatics, vol.23, issue.3, pp.381-382, 2007. ,
DOI : 10.1093/bioinformatics/btl589
Structure of a protein determined by solid-state magic-angle-spinning NMR spectroscopy, Nature, vol.359, issue.6911, pp.98-102, 2002. ,
DOI : 10.1063/1.470372
Protein NMR Structure Determination with Automated NOE Assignment Using the New Software CANDID and the Torsion Angle Dynamics Algorithm DYANA, Journal of Molecular Biology, vol.319, issue.1, pp.209-227, 2002. ,
DOI : 10.1016/S0022-2836(02)00241-3
SOLARIA: a protocol for automated cross-peak assignment and structure calculation for solid-state magicangle spinning NMR spectroscopy, 2005. ,
C Spin-Diffusion Solid-State NMR Spectroscopy, Journal of the American Chemical Society, vol.130, issue.12, pp.3959-3966, 2008. ,
DOI : 10.1021/ja078039s
Amyloid Fibrils of the HET-s(218-289) Prion Form a ?? Solenoid with a Triangular Hydrophobic Core, Science, vol.319, issue.5869, pp.1523-1526, 2008. ,
DOI : 10.1126/science.1151839
Influence of different assignment conditions on the determination of symmetric homodimeric structures with ARIA, Proteins: Structure, Function, and Bioinformatics, vol.121, issue.Part 5, pp.569-585, 2009. ,
DOI : 10.1002/prot.22268
Accurate NMR Structures Through Minimization of an Extended Hybrid Energy, Structure, vol.16, issue.9, pp.1305-1312, 2008. ,
DOI : 10.1016/j.str.2008.07.008
CNS (Crystallography and NMR System), Acta Cryst. sect. D, vol.54, pp.905-921, 1998. ,
DOI : 10.1007/978-3-642-16712-6_318
The CCPN data model for NMR spectroscopy: Development of a software pipeline, Proteins: Structure, Function, and Bioinformatics, vol.58, issue.4, pp.687-696, 2005. ,
DOI : 10.1002/prot.20449
PROCHECK: a program to check the stereochemical quality of protein structures, Journal of Applied Crystallography, vol.26, issue.2, pp.283-291, 1993. ,
DOI : 10.1107/S0021889892009944
WHAT IF: A molecular modeling and drug design program, Journal of Molecular Graphics, vol.8, issue.1, pp.52-56, 1990. ,
DOI : 10.1016/0263-7855(90)80070-V
Recognition of errors in three-dimensional structures of proteins, Proteins: Structure, Function, and Genetics, vol.177, issue.4, pp.355-362, 1993. ,
DOI : 10.1002/prot.340170404
MolProbity: all-atom contacts and structure validation for proteins and nucleic acids, Nucleic Acids Research, vol.35, issue.Web Server, pp.375-383, 2007. ,
DOI : 10.1093/nar/gkm216
Floating stereospecifi c assignment revisited: application to an 18 kDa protein and comparison with J-coupling data, 1997. ,
SANE (Structure Assisted NOE Evaluation): an automated model-based approach for NOE assignment, Journal of Biomolecular NMR, vol.19, issue.4, pp.321-329, 2001. ,
DOI : 10.1023/A:1011227824104
Relax, a Flexible Program for the Back Calculation of NOESY Spectra Based on Complete-Relaxation-Matrix Formalism, Journal of Magnetic Resonance, vol.124, issue.1, pp.177-188, 1997. ,
DOI : 10.1006/jmre.1996.1033
Correction of spin diffusion during iterative automated NOE assignment, Journal of Magnetic Resonance, vol.167, issue.2, pp.334-342, 2004. ,
DOI : 10.1016/j.jmr.2004.01.010
Automated Assignment of Simulated and Experimental NOESY Spectra of Proteins by Feedback Filtering and Self-correcting Distance Geometry, Journal of Molecular Biology, vol.254, issue.3, pp.465-480, 1995. ,
DOI : 10.1006/jmbi.1995.0631
Torsion-Angle Molecular Dynamics as a New Efficient Tool for NMR Structure Calculation, Journal of Magnetic Resonance, vol.124, issue.1, pp.154-164, 1997. ,
DOI : 10.1006/jmre.1996.1027
Quantitative study of the effects of chemical shift tolerances and rates of SA cooling on structure calculation from automatically assigned NOE data, Journal of Magnetic Resonance, vol.175, issue.1, pp.92-102, 2005. ,
DOI : 10.1016/j.jmr.2005.03.020
Modeling Errors in NOE Data with a Log-normal Distribution Improves the Quality of NMR Structures, Journal of the American Chemical Society, vol.127, issue.46, pp.16026-16027, 2005. ,
DOI : 10.1021/ja055092c
Inferential Structure Determination, Science, vol.309, issue.5732, pp.303-306, 2005. ,
DOI : 10.1126/science.1110428
URL : http://hdl.handle.net/11858/00-001M-0000-0013-D4FF-E
Weighting of experimental evidence in macromolecular structure determination, Proc. Natl. Acad. Sci. USA 103, pp.1756-1761, 2006. ,
DOI : 10.1073/pnas.0506412103
A calculation strategy for the structure determination of symmetric demers by1H NMR, Proteins: Structure, Function, and Genetics, vol.24, issue.3, pp.297-309, 1993. ,
DOI : 10.1002/prot.340170307
Refi nement of protein structures in explicit solvent, Proteins Struct. Funct. Genet, vol.20, pp.496-506, 2003. ,
Infl uence of non-bonded parameters on the quality of NMR structures: a new force-fi eld for NMR structure calculation, Journal of Biomolecular NMR, vol.13, issue.1, pp.51-59, 1999. ,
DOI : 10.1023/A:1008365802830
RECOORD: A recalculated coordinate database of 500+ proteins from the PDB using restraints from the BioMagResBank, Proteins: Structure, Function, and Bioinformatics, vol.19, issue.4, pp.662-672, 2005. ,
DOI : 10.1002/prot.20408
Graphical analysis of NMR structural quality and interactive contact map of NOE assignments in ARIA, BMC Structural Biology, vol.8, issue.1, pp.30-34, 2008. ,
DOI : 10.1186/1472-6807-8-30
Validation of protein structures derived by NMR spectroscopy, Progress in Nuclear Magnetic Resonance Spectroscopy, vol.45, issue.3-4, pp.315-337, 2004. ,
DOI : 10.1016/j.pnmrs.2004.08.003
The war of tools: how can NMR spectroscopists detect errors in their structures?, Journal of Biomolecular NMR, vol.35, issue.Web Server issu, pp.251-261, 2008. ,
DOI : 10.1007/s10858-008-9228-4
Definition of a New Information-Based Per-Residue Quality Parameter, Journal of Biomolecular NMR, vol.239, issue.29, pp.123-134, 2005. ,
DOI : 10.1007/s10858-005-2826-5
Traditional Biomolecular Structure Determination by NMR Spectroscopy Allows for Major Errors, PLoS Computational Biology, vol.16, issue.2, p.9, 2006. ,
DOI : 1367-4803(2000)016[0404:TPPSPS]2.0.CO;2
Solution Structure and Dynamics of Ras p21.cntdot.GDP Determined by Heteronuclear Three- and Four-Dimensional NMR Spectroscopy, Biochemistry, vol.33, issue.12, pp.3515-3531, 1994. ,
DOI : 10.1021/bi00178a008
NMRPipe: A multidimensional spectral processing system based on UNIX pipes, Journal of Biomolecular NMR, vol.6, issue.3, pp.277-293, 1995. ,
DOI : 10.1007/BF00197809
NMR View: A computer program for the visualization and analysis of NMR data, Journal of Biomolecular NMR, vol.88, issue.5, pp.603-614, 1994. ,
DOI : 10.1007/BF00404272
A common sense approach to peak picking two-, three-and four-dimensional spectra using automatic computer analysis of contour diagrams, J. Magn. Reson, vol.95, pp.214-220, 1991. ,
[8] Automated and semiautomated analysis of homo- and heteronuclear multidimensional nuclear magnetic resonance spectra of proteins: The program pronto, Methods Enzymol, vol.239, pp.288-308, 1994. ,
DOI : 10.1016/S0076-6879(94)39010-X
The program XEASY for computer-supported NMR spectral analysis of biological macromolecules, Journal of Biomolecular NMR, vol.285, issue.1, pp.1-10, 1995. ,
DOI : 10.1007/BF00417486
Efficient computation of three-dimensional protein structures in solution from nuclear magnetic resonance data using the program DIANA and the supporting programs CALIBA, HABAS and GLOMSA, Journal of Molecular Biology, vol.217, issue.3, pp.517-530, 1991. ,
DOI : 10.1016/0022-2836(91)90754-T
STAR Dictionary Definition Language: Initial Specification, Journal of Chemical Information and Modeling, vol.35, issue.5, pp.819-825, 1995. ,
DOI : 10.1021/ci00027a005
Recommendations for the presentation of NMR structures of proteins and nucleic acids, Journal of Molecular Biology, vol.280, issue.5, pp.933-952, 1998. ,
DOI : 10.1006/jmbi.1998.1852
Torsion angle dynamics for NMR structure calculation with the new program Dyana, Journal of Molecular Biology, vol.273, issue.1, pp.283-298, 1997. ,
DOI : 10.1006/jmbi.1997.1284
Pseudo-structures for the 20 common amino acids for use in studies of protein conformations by measurements of intramolecular proton-proton distance constraints with nuclear magnetic resonance, Journal of Molecular Biology, vol.169, issue.4, pp.949-961, 1983. ,
DOI : 10.1016/S0022-2836(83)80144-2
Observation of spin exchange by twodimensional fourier transform 13 C cross polarization-magic-angle spinning, J. Magn. Reson, vol.47, pp.462-475, 1982. ,
13C???1H dipolar-driven 13C???13C recoupling without 13C rf irradiation in nuclear magnetic resonance of rotating solids, The Journal of Chemical Physics, vol.118, issue.5, pp.2325-2341, 2003. ,
DOI : 10.1063/1.1534105
N Proton Assisted Recoupling in Magic Angle Spinning NMR, Journal of the American Chemical Society, vol.131, issue.16, pp.5769-5776, 2009. ,
DOI : 10.1021/ja806578y
Influence of chemical shift tolerances on NMR structure calculations using ARIA protocols for assigning NOE data, Journal of Biomolecular NMR, vol.4, issue.1, pp.21-34, 2005. ,
DOI : 10.1007/s10858-004-5359-4
The 13 C chemical-shift index: a simple method for the identifi cation of protein secondary structure using 13 C chemical-shift data, J. Biomol. NMR, vol.4, pp.171-180, 1994. ,
Protein backbone angle restraints from searching a database for chemical shift and sequence homology, Journal of Biomolecular NMR, vol.13, issue.3, pp.289-302, 1999. ,
DOI : 10.1023/A:1008392405740
DANGLE: A Bayesian inferential method for predicting protein backbone dihedral angles and secondary structure, Journal of Magnetic Resonance, vol.202, issue.2, pp.223-256, 2010. ,
DOI : 10.1016/j.jmr.2009.11.008
Protein 3D structure determination by high-resolution solid-state NMR, Comptes Rendus Chimie, vol.13, issue.4, pp.423-430, 2010. ,
DOI : 10.1016/j.crci.2010.03.007
Structural constraints for the Crh protein from solid-state NMR experiments, Journal of Biomolecular NMR, vol.127, issue.4, pp.239-250, 2008. ,
DOI : 10.1007/s10858-008-9229-3
URL : https://hal.archives-ouvertes.fr/hal-00315183
C NMR Relaxation Analysis, Journal of the American Chemical Society, vol.118, issue.39, pp.9255-9264, 1996. ,
DOI : 10.1021/ja960877r
Defining long range order in NMR structure determination from the dependence of heteronuclear relaxation times on rotational diffusion anisotropy, Nature Structural Biology, vol.4, issue.6, pp.443-449, 1997. ,
DOI : 10.1107/S0021889892009944
A Robust Method for Determining the Magnitude of the Fully Asymmetric Alignment Tensor of Oriented Macromolecules in the Absence of Structural Information, Journal of Magnetic Resonance, vol.133, issue.1, pp.216-221, 1998. ,
DOI : 10.1006/jmre.1998.1419
Prediction of Sterically Induced Alignment in a Dilute Liquid Crystalline Phase:?? Aid to Protein Structure Determination by NMR, Journal of the American Chemical Society, vol.122, issue.15, pp.3791-3792, 2000. ,
DOI : 10.1021/ja0000908
A new approach for applying residual dipolar couplings as restraints in structure calculations, Journal of Biomolecular NMR, vol.16, issue.3, pp.245-252, 2000. ,
DOI : 10.1023/A:1008378624590
PBS: portable batch system, Beowulf cluster computing with Linux, pp.369-390, 2002. ,
Sun Grid Engine: towards creating a compute power grid, Proceedings First IEEE/ACM International Symposium on Cluster Computing and the Grid, p.35, 2001. ,
DOI : 10.1109/CCGRID.2001.923173
Distributed computing in practice: the Condor experience, Concurrency and Computation: Practice and Experience, vol.11, issue.2-4, pp.323-356, 2005. ,
DOI : 10.1002/cpe.938
Quantitative Evaluation of Experimental NMR Restraints, Journal of the American Chemical Society, vol.125, issue.39, pp.12026-12034, 2003. ,
DOI : 10.1021/ja035440f
Completeness of NOEs in protein structure: a statistical analysis of NMR data, Journal of Biomolecular NMR, vol.14, issue.2, pp.123-132, 1999. ,
DOI : 10.1023/A:1008335423527
Evaluating protein structures determined by structural genomics consortia, Proteins: Structure, Function, and Bioinformatics, vol.59, issue.4, pp.778-795, 2007. ,
DOI : 10.1002/prot.21165
Solid-state NMR and SAXS studies provide a structural basis for the activation of ??B-crystallin oligomers, Nature Structural & Molecular Biology, vol.40, issue.99, pp.1037-1042, 2010. ,
DOI : 10.1002/prot.340170307