NOAH/DIAMOD program suite is based on the Self-Correcting Distance Geometry (SECODG) method for automated assignment of 2D and 3D NMR NOESY spectra and 3D structural calculations. The program suite has been tested on both simulated and real NOESY spectra of proteins with known structures. We have successfully determined several protein structures using NOAH/DIAMOD program suite and experimental 2D/3D NMR data.

Currently we are developing perl/TK based GUI application of NOAH/DIAMOD  to facilitate the users who have a little or no computational and fortran programming background.

G. Hänggi and W. Braun 1994. "Pattern recognition and self-correcting distance geometry calculations applied to myohemerythrin". FEBS Letters. 344. 147-153

2. C. Mumenthaler and W. Braun 1995. "Automated Assignment of Simulated and Experimental NOESY Spectra of Proteins by Feedback Filtering and Self-correcting Distance Geometry". J. Mol. Biol. 254:465-480.

3. Y. Xu, J. Wu, D. Gorenstein and W. Braun 1997. "Automatic assignments of 2D NOESY spectrum and structure determination of Crambin protein". 38th Experimental Nuclear Magnetic resonance Conference March 23-37, p94

4. C. Mumenthaler, P. Guntert, W Braun and K. Wuthrich 1997. "Automated combined assignment of NOESY spectra and three-dimensional protein structure determination". J. Biomolecular NMR. 10(4):351-362.

5. Y. Xu, J. Wu, D. Gorenstein, and W. Braun 1999. "Automated 3D Assignment and Structure Calculation of Crambin(S22/I25) with the Self-Correcting Distance Geometry Based NOAH/DIAMOD Programs". J. of Magnetic Resonance, 136:76-85.

6. Xu, Y., Schein, Ch. and Braun, W. (1999). Combined automated assignment of NOESY spectra and three-dimensional structure calculation of proteins Modern Techniques in Protein NMR. Biological Magnetic Resonance (L.J. Berliner & N. Rama Krishna, eds) Plenum Publishing Corporation, New York, NY.

7. Xu, Y., Jablonsky, M. J., Jackson, P. L., Braun, W. and Krishna, N. R. (2000). Automatic assignment of NOESY cross peaks and determination of the protein structure of a New World scorpion neurotoxin using NOAH/DIAMOD J. Mag. Res. 148(1):35-46, 2001.

8. Oezguen, N.,Adamian, L., Xu, Y., Rajarathnam, K. and Braun, W. Automated assignment and 3D structure calculations using combinations of 2D homonuclear and 3D heteronuclear NOESY spectra. J. Biomol. NMR 22(3):249-263, 2002.

9. Garimella, R., Xu, Y., Schein, C.H., Rajarathnam, K., Painter, S.D., Nagle, G.T. and Braun, W. NMR solution structure of attractin, a water-borne protein pheromone from the mollusk Aplysia californica. Biochemistry 42(33):9970-9979, 2003.

(Automated NOESY Spectra Assignments and Protein Structure Determination)


Structures Determined via NOAH/DIAMOD

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Last modified: 08/20/04