NMR paper Editorial: New 1.2 GHz NMR Spectrometers— New Horizons?

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[NMR paper] Editorial: New 1.2 GHz NMR Spectrometers— New Horizons?

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MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

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NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

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Methyl S2

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Shiftx2

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Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

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Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

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Editorial: New 1.2 GHz NMR Spectrometers— New Horizons?

Editorial: New 1.2 GHz NMR Spectrometers— New Horizons?

The latest ultrahigh-field NMR spectrometers are a huge technological challenge that require large financial investments. In his Guest Editorial, Harald Schwalbe justifies the need for spectrometers with higher magnetic field strengths. The important results from previous generations of high-field NMR spectrometers are discussed, and research areas are identified that will benefit from the latest spectrometers.

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