Affiner les résultats

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

α-Synuclein lipoprotein nanoparticles

Eichmann, Cédric ; Bibow, Stefan ; Riek, Roland

In: Nanotechnology Reviews, 2017, vol. 6, no. 1, p. 105-110

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

Protein resonance assignment at MAS frequencies approaching 100kHz: a quantitative comparison of J-coupling and dipolar-coupling-based transfer methods

Penzel, Susanne ; Smith, Albert ; Agarwal, Vipin ; Hunkeler, Andreas ; Org, Mai-Liis ; Samoson, Ago ; Böckmann, Anja ; Ernst, Matthias ; Meier, Beat

In: Journal of Biomolecular NMR, 2015, vol. 63, no. 2, p. 165-186

Coupling of electronic and nuclear motion in a negative ion resonance: Experimental and theoretical study of benzene

Allan, Michael ; Čurík, Roman ; Čársky, Petr

In: The Journal of Chemical Physics, 2019, vol. 151, no. 6, p. 064119

We present calculated and measured elastic and vibrational excitation cross sections in benzene with the objective to assess the reliability of the theoretical method and to shed more light on how the electronic motion of the incoming electron is coupled with the nuclear motion of the vibrations. The calculation employed the discrete momentum representation method which involves solving the...

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

Time-averaged order parameter restraints in molecular dynamics simulations

Hansen, Niels ; Heller, Fabian ; Schmid, Nathan ; van Gunsteren, Wilfred

In: Journal of Biomolecular NMR, 2014, vol. 60, no. 2-3, p. 169-187

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...

Resonance Assignments of the Two N-terminal RNA Recognition Motifs (RRM) of the Human Heterogeneous Nuclear Ribonucleoprotein F (HnRNP F)

Dominguez, Cyril ; Allain, Frédéric

In: Journal of Biomolecular NMR, 2005, vol. 33, no. 4, p. 282-282