High magnetic field science and its application in the United States: A magnetic resonance perspective

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High magnetic field science and its application in the United States: A magnetic resonance perspective

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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

Quality Control Check

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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04-28-2014, 10:34 PM

nmrlearner

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High magnetic field science and its application in the United States: A magnetic resonance perspective

From The DNP-NMR Blog:

High magnetic field science and its application in the United States: A magnetic resonance perspective

Frydman, L., High magnetic field science and its application in the United States: A magnetic resonance perspective. J Magn Reson, 2014(0).

http://www.ncbi.nlm.nih.gov/pubmed/24618413

High-field magnets have become an important research tool in many scientific disciplines. Originally developed for studying the characteristics of materials under extreme conditions, they have increasingly been used by other disciplines, including biology, chemistry, and geology, and have found applications beyond basic science, serving many applied fields from medicine to the petroleum industry. At the request of the United States National Science Foundation, the U.S. National Research Council (NRC) established a committee in the spring of 2012 called the ‘‘Committee to Assess the Current Status and Future Direction of High Magnetic Field Science in the United States’’. This group of Academy-level experts was asked to assess the needs of the U.S. research community in particular – and of the global research community in general – for high magnetic fields.

Go to The DNP-NMR Blog for more info.

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