CYANA Publications

The key publications on CYANA

• Güntert, P., Mumenthaler, C. & Wüthrich, K. Torsion angle dynamics for NMR structure calculation with the new program DYANA. J. Mol. Biol. 273, 283–298 (1997)

• Herrmann, T., Güntert, P. & Wüthrich, K. Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA. J. Mol. Biol. 319, 209–227 (2002)

• López-Méndez, B. & Güntert, P. Automated protein structure determination from NMR spectra. J. Am. Chem. Soc. 128, 13112–13122 (2006)

• Güntert, P., Braun, W. & Wüthrich, K. 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. J. Mol. Biol. 217, 517–530 (1991)

All CYANA-related publications

In reverse chronological order.

• Rosato, A., Aramini, J. M., Arrowsmith, C., Bagaria, A., Baker, D., Cavalli, A., Doreleijers, J. F., Eletsky, A., Giachetti, A., Guerry, P., Gutmanas, A., Güntert, P., He. Y. F., Herrmann, T., Huang, Y. J., Jaravine, V., Jonker, H. R. A., Kennedy, M. A., Lange, O. F., Liu, G., Malliavin, T. E., Mani, R., Mao, B., Montelione, G. T., Nilges, M., Rossi, P., van der Schot, G., Schwalbe, H., Szyperski, T., Vendruscolo, M., Vernon, R., Vranken, W. F., de Vries, S., Vuister, G. W., Wu, B. Yang, Y. & Bonvin, A. M. J. J. Blind testing of routine, fully automated determination of protein structures from NMR data. Structure 20, 227–236 (2012)

• Güntert, P. Calculation of structures from NMR restraints. In Protein NMR Spectroscopy: Practical Techniques and Applications (Eds. G. Roberts & L.-Y. Lian), Wiley, New York, pp. 159–192 (2011).

• Kirchner, D. K. & Güntert, P. Objective identification of residue ranges for the superposition of protein structures. BMC Bioinformatics 12, 170 (2011)

• Ikeya, T., Jee. J. G., Shigemitsu, Y., Hamatsu, J., Mishima, M., Ito, Y., Kainosho, M. & Güntert, P. Exclusively NOESY-based automated NMR assignment and structure determination of proteins. J. Biomol. NMR. 50, 137–146 (2011)

• Güntert, P. Automated structure determination from NMR Spectra. In Advances in Biomedical Spectroscopy. Volume 3: Biomolecular NMR Spectroscopy (Eds. A. Dingley & S. Pascal), IOS Press, Amsterdam, pp. 338–365 (2011)

• Hefke, F., Bagaria, A., Reckel, S., Ullrich, S.J., Dötsch, V., Glaubitz, C. & Güntert P. Optimization of amino acid type-specific ¹³C and ¹⁵N labeling for the backbone assignment of membrane proteins by solution- and solid-state NMR with the UPLABEL algorithm. J. Biomol. NMR 49, 75-84 (2011)

• Kainosho, M. & Güntert, P. SAIL – Stereo-array isotope labeling. Q. Rev. Biophys. 42, 247-300 (2009)

• Ikeya, T., Takeda, M., Yoshida, H., Terauchi, T., Jee, J., Kainosho, M. & Güntert, P. Automated NMR structure determination of stereo-array isotope labeled ubiquitin from minimal sets of spectra using the SAIL-FLYA system. J. Biomol. NMR. 44, 261-272 (2009)

• Güntert, P. Automated structure determination from NMR Spectra. Eur. Biophys. J. 38, 129-143 (2009)

• Takeda, M., Chang, C. K., Ikeya, T., Güntert, P., Chang, Y. H., Hsu, Y. L., Huang, T. H. & Kainosho, M. Solution structure of the C-terminal dimerization domain of SARS coronavirus nucleocapsid protein determined by the SAIL-NMR method. J. Mol. Biol. 380, 608–622 (2008)

• López-Méndez, B. & Güntert, P. Automated protein structure determination from NMR spectra. J. Am. Chem. Soc. 128, 13112–13122 (2006)

• Scott, A., López-Méndez, B. & Güntert, P. Fully automated structure determinations of the Fes SH2 domain using different sets of NMR spectra. Magn. Reson. Chem. 44, S83–S88 (2006)

• Ikeya, T., Terauchi, T., Güntert, P., Kainosho, M. Evaluation of stereo-array isotope labeling (SAIL) patterns for automated structural analysis of proteins with CYANA. Magn. Reson. Chem. 44, S152–S157 (2006)

• Güntert, P. Automated NMR structure calculation with CYANA. Meth. Mol. Biol. 278, 353–378 (2004)

• Güntert, P. Automated NMR protein structure calculation. Prog. NMR Spectrosc. 43, 105–125 (2003)

• Jee, J. G. & Güntert, P. Influence of the completeness of chemical shift assignments on NMR structures obtained with automated NOE assignment. J. Struct. Funct. Genom. 4, 179–189 (2003)

• Herrmann, T., Güntert, P. & Wüthrich, K. Protein NMR structure determination with automated NOE-identification in the NOESY spectra using the new software ATNOS. J. Biomol. NMR 24, 171–189 (2002)

• Güntert, P. Structure calculation using automated techniques. Meth. Principles Med. Chem. 16, 39–66 (2002).

• Herrmann, T., Güntert, P. & Wüthrich, K. Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA. J. Mol. Biol. 319, 209–227 (2002)

• Güntert, P. & Wüthrich, K. Sampling of conformation space in torsion angle dynamics calculations. Comp. Phys. Commun. 138, 155–169 (2001)

• Güntert, P., Billeter, M., Ohlenschläger, O., Brown, L. & Wüthrich, K. Conformational analysis of protein and nucleic acid fragments with the new grid search algorithm FOUND. J. Biomol. NMR 12, 543–548 (1998)

• Banci, L., Bertini, I., Cremonini, M. A., Gori-Savellini, G., Luchinat, C., Wüthrich, K. & Güntert, P. PSEUDYANA for NMR structure calculation of paramagnetic metalloproteins using torsion angle molecular dynamics.J. Biomol. NMR 12, 553–557 (1998)

• Güntert, P. Structure calculation of biological macromolecules from NMR data. Q. Rev. Biophys. 31, 145–237 (1998)

• Mumenthaler, C., Güntert, P., Braun, W. & Wüthrich, K. Automated combined assignment of NOESY spectra and three-dimensional protein structure determination. J. Biomol. NMR 10, 351–362 (1997)

• Güntert, P., Mumenthaler, C. & Wüthrich, K. Torsion angle dynamics for NMR structure calculation with the new program DYANA. J. Mol. Biol. 273, 283–298 (1997)

• Güntert, P. Calculating protein structures from NMR data. Meth. Mol. Biol. 60, 157–194 (1997).

• Güntert, P. Computer–supported protein structure determination by NMR. In Statistical mechanics, protein structure and protein–substrate interactions (Ed. S. Doniach), Plenum Press, New York, pp. 197–207 (1994).

• Güntert, P., Berndt, K. D. & Wüthrich, K. The program ASNO for computer-supported collection of NOE upper distance constraints as input for protein structure determination. J. Biomol. NMR 3, 601–606 (1993)

• Güntert, P. Neue Rechenverfahren für die Proteinstrukturbestimmung mit Hilfe der magnetischen Kernspinresonanz, Ph.D. Thesis ETH 10135 (1993)

• Güntert, P. & Wüthrich, K. Improved efficiency of protein structure calculations from NMR data using the program DIANA with redundant dihedral angle constraints. J. Biomol. NMR 1, 447–456 (1991)

• Güntert, P., Braun, W. & Wüthrich, K. 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. J. Mol. Biol. 217, 517–530 (1991)

• Güntert, P., Qian, Y. Q., Otting, G., Müller, M., Gehring, W. J. & Wüthrich K. Structure determination of the Antp(C39S) homeodomain from nuclear magnetic resonance data in solution using a novel strategy for the structure calculation with the programs DIANA, CALIBA, HABAS and GLOMSA. J. Mol. Biol. 217, 531–540 (1991)

• Güntert, P., Braun, W., Billeter, M. & Wüthrich, K. Automated stereospecific ¹H NMR assignments and their impact on the precision of protein structure determinations in solution. J. Am. Chem. Soc. 111, 3997–4004 (1989)

Further publications

All Publications of P. Güntert