Using chemical shift perturbation to characterise ligand binding
MP Williamson - Progress in nuclear magnetic resonance spectroscopy, 2013 - Elsevier
Chemical shift perturbation (CSP, chemical shift mapping or complexation-induced changes
in chemical shift, CIS) follows changes in the chemical shifts of a protein when a ligand is …
in chemical shift, CIS) follows changes in the chemical shifts of a protein when a ligand is …
The use of NMR methods for conformational studies of nucleic acids
SS Wijmenga, BNM Van Buuren - Progress in nuclear magnetic resonance …, 1998 - Elsevier
Nucleic acid molecules play a central role in cell biological processes. DNA's main role is to
act as the carrier of genetic information. Furthermore, DNA is transcribed into RNA by a …
act as the carrier of genetic information. Furthermore, DNA is transcribed into RNA by a …
Protein backbone and sidechain torsion angles predicted from NMR chemical shifts using artificial neural networks
Abstract A new program, TALOS-N, is introduced for predicting protein backbone torsion
angles from NMR chemical shifts. The program relies far more extensively on the use of …
angles from NMR chemical shifts. The program relies far more extensively on the use of …
TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts
NMR chemical shifts in proteins depend strongly on local structure. The program TALOS
establishes an empirical relation between 13 C, 15 N and 1 H chemical shifts and backbone …
establishes an empirical relation between 13 C, 15 N and 1 H chemical shifts and backbone …
GROMACS: fast, flexible, and free
This article describes the software suite GROMACS (Groningen MAchine for Chemical
Simulation) that was developed at the University of Groningen, The Netherlands, in the early …
Simulation) that was developed at the University of Groningen, The Netherlands, in the early …
GROMACS 3.0: a package for molecular simulation and trajectory analysis
GROMACS 3.0 is the latest release of a versatile and very well optimized package for
molecular simulation. Much effort has been devoted to achieving extremely high …
molecular simulation. Much effort has been devoted to achieving extremely high …
Consistent blind protein structure generation from NMR chemical shift data
Protein NMR chemical shifts are highly sensitive to local structure. A robust protocol is
described that exploits this relation for de novo protein structure generation, using as input …
described that exploits this relation for de novo protein structure generation, using as input …
Temperature dependence of 1H chemical shifts in proteins
NJ Baxter, MP Williamson - Journal of biomolecular NMR, 1997 - Springer
Temperature coefficients have been measured by 2D NMR methods forthe amide and CαH
proton chemical shifts in two globularproteins, bovine pancreatic trypsin inhibitor and hen …
proton chemical shifts in two globularproteins, bovine pancreatic trypsin inhibitor and hen …
De novo protein structure generation from incomplete chemical shift assignments
NMR chemical shifts provide important local structural information for proteins. Consistent
structure generation from NMR chemical shift data has recently become feasible for proteins …
structure generation from NMR chemical shift data has recently become feasible for proteins …
Magnetic Field Dependence of Nitrogen−Proton J Splittings in 15N-Enriched Human Ubiquitin Resulting from Relaxation Interference and Residual Dipolar …
One-bond 1 J NH couplings have been measured in 15N-enriched human ubiquitin and
range from 91.1 to 95.6 Hz. Measurements have been carried out using two different …
range from 91.1 to 95.6 Hz. Measurements have been carried out using two different …