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Bax Group - Software
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See the NMRPipe Home Page for additional information on software including details regarding NMRPipe, NMRDraw, NMRWish, TALOS, DYNAMO, and ACME.

See also, the NMR Calculation Server Page, featuring web-based versions of TALOS-N, TALOS+, SPARTA+, DC, and other computational methods from the Bax Group ...

Program Description Reference
NMRPipe Multidimensional spectral processing and analysis of NMR data J. Biomol. NMR. 6, 277 (1995)
TALOS Prediction of Protein Phi and Psi Angles Using a Chemical Shift Database J. Biomol. NMR. 13, 289 (1999)
ACME Measurement of homonuclear proton couplings from regular 2D COSY spectra J. Magn. Reson. 149, 276-281 (2001).
SSIA Simulation of Sterically Induced Alignment Tensor J. Am. Chem. Soc. 122, 3791-3792 (2000)
PALES Prediction of ALignmEnt from Structure J. Am. Chem. Soc. 122, 3791-3792 (2000)
EHM Extended Histogram Method for Analysis of Dipolar Couplings J. Biomol. NMR. 28, 273-287 (2004)
HBDB Database Hydrogen-Bonding Potential for Protein Structure Refinement J. Am. Chem. Soc. 126, 7281-7292 (2004)
SAXS Refinement of Protein Structures Against Small-Angle X-Ray Scattering Data J. Am. Chem. Soc. 127, 16621-16628 (2005)
SPARTA Prediction of Backbone Chemical Shifts from Known Protein Structure J. Biomol. NMR. 38, 289-302 (2007)
CS-ROSETTA Chemical Shifts Based Protein Structure Prediction Using ROSETTA Proc. Natl. Acad. Sci. USA 105, 4685-4690 (2008)
IDIDC Iterative DIDC analysis of RDCs J. Phys. Chem. 112, 6045-6056 (2008)
FastSAXS Fast refinement of macromolecular structures against solution x-ray scattering data J. Biomol. NMR. 42, 99-109 (2008)
TALOS+ A Hybrid method for predicting protein backbone torsion angles from NMR chemical shifts J. Biomol. NMR. 44, 213-223 (2009)
PROMEGA Prediction of Xaa-Pro peptide bond conformation from sequence and chemical shifts J. Biomol. NMR. 46, 199-204 (2010)
SPARTA+ Improved Prediction of Backbone Chemical Shifts from Known Protein Structure J. Biomol. NMR 48, 13-22 (2010)
MICS Identification of Helix Capping and Beta-turn Motifs from NMR Chemical Shifts J. Biomol. NMR 52, 211-232 (2012)
VW_fit Optimization of weights of individual structural models in structural ensemble to achieve best fit for RDCs in multiple alignment media J. Am. Chem. Soc. 136, 3752-3755 (2012)
TALOS-N Protein Backbone and Sidechain Torsion Angles Predicted from NMR Chemical Shifts Using Artificial Neural Networks J. Biomol. NMR 56, 227-241 (2013)
POMONA Chemical Shift Homology Modeling using Protein alignments Obtained by Matching Of NMR Assignments Nat. Method 12, 747-750
MERA Backbone Torsion Angle Distributions Evaluation in Dynamic and Disordered Proteins from NMR Data J. Biomol. NMR 63, 85-95
SMILE Sparse Multidimensional Iterative Lineshape-Enhanced (SMILE) Reconstruction of Both Non-Uniformly Sampled and Conventional NMR Data J. Biomol. NMR 68, 101-118 (2017)
random coil J(HNHa) IDP random coil 3J(HNHa) coupling constants prediction Protein Sci, 27, 146-158 (2018)

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last updated:  Jan, 2023 / sy