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NMRPipe: A multidimensional spectral processing system based on UNIX pipes
The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. Expand
Protein backbone angle restraints from searching a database for chemical shift and sequence homology
TALOS yields the 10 triplets which have the closest similarity in secondary chemical shift and amino acid sequence to those of the query sequence, and these averages can reliably be used as angular restraints for the protein whose structure is being studied. Expand
TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts
Extension of the original 20-protein database to 200 proteins increased the fraction of residues for which backbone angles could be predicted from 65 to 74%, while reducing the error rate from 3 to 2.5%, and addition of a two-layer neural network filter to the database fragment selection process forms the basis for a new program, TALOS+, which further enhances the prediction rate to 88.5%. Expand
MLEV-17-based two-dimensional homonuclear magnetization transfer spectroscopy
Recently, we have shown that net magnetization transfer among scalar coupled homonuclear spins can be obtained by the application of a spin-lock field (I), or more effectively, by the application ofExpand
Validation of Protein Structure from Anisotropic Carbonyl Chemical Shifts in a Dilute Liquid Crystalline Phase
The change in chemical shift ( ∆δ) observed for a given nucleus, when shifting from an isotropic medium to a strongly oriented, liquid crystalline phase, contains valuable information on theExpand
Backbone dynamics of proteins as studied by 15N inverse detected heteronuclear NMR spectroscopy: application to staphylococcal nuclease.
The use of novel two-dimensional nuclear magnetic resonance (NMR) pulse sequences to provide insight into protein dynamics is described, suggesting that there is no correlation between these rapid small amplitude motions and secondary structure for S. Nase. Expand
Quantitative J correlation: a new approach for measuring homonuclear three-bond J(HNH.alpha.) coupling constants in 15N-enriched proteins
A new approach is described for the measurement of homonuclear H N -H α J couplings in 15 N-enriched proteins. The method relies on measurement of the diagonal-peak to cross-peak intensity ratio in aExpand
Protein backbone and sidechain torsion angles predicted from NMR chemical shifts using artificial neural networks
Validation on an independent set of proteins indicates that backbone torsion angles can be predicted for a larger, ≥90 % fraction of the residues, with an error rate smaller than ca 3.5 %, and an acceptance criterion that is nearly two-fold tighter than that used previously. Expand
Prediction of Sterically Induced Alignment in a Dilute Liquid Crystalline Phase: Aid to Protein Structure Determination by NMR
A tunable, weak degree of macromolecular alignment with respect to a static magnetic field can be obtained in a dilute, lyotropic liquid crystalline phase. 1 Provided the degree of solute alignmentExpand
Direct measurement of distances and angles in biomolecules by NMR in a dilute liquid crystalline medium.
The approach promises to improve the accuracy of structures determined by NMR, and extend the size limit, and distances and angles derived from dipolar couplings in human ubiquitin are in excellent agreement with its crystal structure. Expand