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Combined automated NOE assignment and structure calculation with CYANA

Güntert, Peter ; Buchner, Lena

In: Journal of Biomolecular NMR, 2015, vol. 62, no. 4, p. 453-471

Systematic evaluation of combined automated NOE assignment and structure calculation with CYANA

Buchner, Lena ; Güntert, Peter

In: Journal of Biomolecular NMR, 2015, vol. 62, no. 1, p. 81-95

Extending the eNOE data set of large proteins by evaluation of NOEs with unresolved diagonals

Chi, Celestine ; Strotz, Dean ; Riek, Roland ; Vögeli, Beat

In: Journal of Biomolecular NMR, 2015, vol. 62, no. 1, p. 63-69

J-UNIO protocol used for NMR structure determination of the 206-residue protein NP_346487.1 from Streptococcus pneumoniae TIGR4

Jaudzems, Kristaps ; Pedrini, Bill ; Geralt, Michael ; Serrano, Pedro ; Wüthrich, Kurt

In: Journal of Biomolecular NMR, 2015, vol. 61, no. 1, p. 65-72

NMR structure calculation for all small molecule ligands and non-standard residues from the PDB Chemical Component Dictionary

Yilmaz, Emel ; Güntert, Peter

In: Journal of Biomolecular NMR, 2015, vol. 63, no. 1, p. 21-37

On the use of one-step perturbation to investigate the dependence of NOE-derived atom-atom distance bound violations of peptides upon a variation of force-field parameters

Lin, Zhixiong ; Oostenbrink, Chris ; van Gunsteren, Wilfred

In: European Biophysics Journal, 2014, vol. 43, no. 2-3, p. 113-119

Automated NMR resonance assignment strategy for RNA via the phosphodiester backbone based on high-dimensional through-bond APSY experiments

Krähenbühl, Barbara ; El Bakkali, Issam ; Schmidt, Elena ; Güntert, Peter ; Wider, Gerhard

In: Journal of Biomolecular NMR, 2014, vol. 59, no. 2, p. 87-93

Molecular dynamics simulations with replica-averaged structural restraints generate structural ensembles according to the maximum entropy principle

Cavalli, Andrea ; Camilloni, Carlo ; Vendruscolo, Michele

In: The journal of chemical physics, 2013, vol. 138, no. 9, p. 094112

In order to characterise the dynamics of proteins, a well-established method is to incorporate experimental parameters as replica-averaged structural restraints into molecular dynamics simulations. Here, we justify this approach in the case of interproton distance information provided by nuclear Overhauser effects by showing that it generates ensembles of conformations according to the maximum...

13C, 15N Resonance Assignment of Parts of the HET-s Prion Protein in its Amyloid Form

Siemer, Ansgar ; Ritter, Christiane ; Steinmetz, Michel ; Ernst, Matthias ; Riek, Roland ; Meier, Beat

In: Journal of Biomolecular NMR, 2006, vol. 34, no. 2, p. 75-87

Solid-state NMR spectroscopy of 10% 13C labeled ubiquitin: spectral simplification and stereospecific assignment of isopropyl groups

Schubert, Mario ; Manolikas, Theofanis ; Rogowski, Marco ; Meier, Beat

In: Journal of Biomolecular NMR, 2006, vol. 35, no. 3, p. 167-173