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[NMR900 blog] Cover article in Chemistry - A European Journal

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NMR processing:

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:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

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NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

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

Validate NMR-STAR 3.1

NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

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03-21-2013, 02:54 AM

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Cover article in Chemistry - A European Journal

Cover article in Chemistry - A European Journal

Jun Xu, Victor V. Terskikh, and Yining Huang,"Resolving Multiple Non-Equivalent Metal Sites in Magnesium-Containing Metal-organic Frameworks by Natural Abundance 25Mg Solid-State NMR," Chemistry - A European Journal 19 (2013) 4432–4436. (Cover Article) http://dx.doi.org/10.1002/chem.201300113

Four nonequivalent magnesium sites with very similar local Mg environments in a Mg-containing metal–organic framework, microporous ?-Mg3(HCOO)6, have been resolved by 25Mg natural-abundance triple-quantum magic-angle spinning (3QMAS) NMR spectroscopy at an ultrahigh magnetic field of 21.1 T.

This cover article features results obtained using the 21.1 T solid-state NMR spectrometer at the National Ultrahigh-Field NMR Facility for Solids (Ottawa, ON). If you are interested in using this spectrometer in your research please contact the Facility manager. http://nmr900.ca/contacts_e.html

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