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Fast NMR-Based Determination of the 3D Structure of the Binding Site of Protein–Ligand Complexes with Weak Affinity Binders.
Marielle A. Wälti, Roland Riek, and Julien Orts
Angewandte Chemie - International Edition in English, (2017) Weinheim: Wiley.
A general theoretical description of the influence of isotropic chemical shift in dipolar recoupling experiments for solid-state NMR.
Ravi Shankar, Matthias Ernst, Perunthiruthy K. Madhu, Thomas Vosegaard, Niels C. Nielsen, and Anders B. Nielsen
Journal of Chemical Physics, (2017) Melville, NY: American Institute of Physics.
Model-free extraction of spin label position distributions from pseudocontact shift data.
Elizaveta A. Suturina, Daniel Häussinger, Kaspar Zimmermann, Luca Garbuio, Maxim Yulikov, Gunnar Jeschke, and Ilya Kuprov
Chemical Science, (2017) Cambridge: Royal Society of Chemistry.
Comment on 'Time delays in molecular photoionization'.
Denitsa Baykusheva, and Hans J. Wörner
Journal of Physics B: Atomic, Molecular and Optical Physics, (2017) Bristol: Institute of Physics.
Size-Resolved Photoelectron Anisotropy of Gas Phase Water Clusters and Predictions for Liquid Water.
Sebastian Hartweg, Bruce L. Yoder, Gustavo A. Garcia, Laurent Nahon, and Ruth Signorell
Physical Review Letters, (2017) New York, NY: American Physical Society.
Improved accuracy of hybrid atomistic/coarse-grained simulations using reparametrised interactions.
Annick Renevey, and Sereina Riniker
Journal of Chemical Physics, (2017) Melville, NY: American Institute of Physics.
Steering Orbital Optimization out of Local Minima and Saddle Points Toward Lower Energy.
Alain C. Vaucher, and Markus Reiher
Journal of Chemical Theory and Computation, (2017) Washington, DC: American Chemical Society.
Quenched hydrogen-deuterium exchange NMR of a disease-relevant Aß(1-42) amyloid polymorph.
Marielle A. Wälti, Julien Orts, and Roland Riek
Plos One, (2017) San Francisco, CA: Public Library of Science.
α-Synuclein Lipoprotein Nanoparticles.
Cédric Eichmann, Stefan Bibow, and Roland Riek
Nanotechnology Reviews, (2017) Berlin: De Gruyter.
Parameter independent low-power heteronuclear decoupling for fast magic-angle spinning solid-state NMR.
Asif Equbal, Perunthiruthy K. Madhu, Beat H. Meier, Niels C. Nielsen, Matthias Ernst, and Vipin Agarwal
Journal of Chemical Physics, (2017) Melville, NY: American Institute of Physics.
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