NMR of Biomolecules: Towards Mechanistic Systems Biology
NMR is one of the most powerful methods for imaging of biomolecules. This book is the ultimate NMR guide for researchers in the biomedical community and gives not only background and practical tips but also a forward looking view on the future of NMR in systems biology.
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affinity anisotropy aromatic ring back-calculated CSPs binding region bound form chemical shift perturbations complex structure determination conformation cross-correlation CSP data CSP pair DdcalclðÞ ½ DdmeaslðÞ ½ defined determination of protein–ligand DMSO docking poses dot density drug discovery process electric field epitope Figure geometric parameters group of protons groups of binders HSQC spectra intermolecular NOEs Kandell s rank lanthanide ligand protons low-affinity binders magnetization measured and back-calculated measured CSPs micromolar molecules NMR buffer NMR data NMR experiments NMR spectroscopy NMR-driven drug discovery nuclear Overhauser effect paramagnetic PCSs pharmacophore potential protein sample protein target protein–ligand complex structure protein–ligand interactions protein–ligand structure proton–proton distances reference compound residual dipolar couplings residues resonances ring current effect scoring function sequential assignment showing positive STD shown in Equation signals simulated annealing solubility solve the structural square potential STD experiment structural problem structure calculations target trNOE values for G(r WaterLOGSY with/without X-ray crystallography Ydiscordant CSP