NMR900 blog Encyclopedia of Magnetic Resonance: new entries

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[NMR900 blog] Encyclopedia of Magnetic Resonance: new entries

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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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12-17-2013, 12:56 AM

nmrlearner

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Encyclopedia of Magnetic Resonance: new entries

Encyclopedia of Magnetic Resonance: new entries

eMagRes (2013) volume 2, issue 4

A. Sutrisno, A.J. Simpson,"Metals in the Environment," eMagRes 2 (2013) 467–476. http://dx.doi.org/10.1002/9780470034590.emrstm1347

P.J. Mitchell, A.J. Simpson, M.J. Simpson,"Dissolved Organic Matter," eMagRes 2 (2013) 503–516. http://dx.doi.org/10.1002/9780470034590.emrstm1348

S. Booth, R.J. Turner, A. Weljie,"Metabolomics in Environmental Microbiology," eMagRes 2 (2013) 517–528. http://dx.doi.org/10.1002/9780470034590.emrstm1335

M.J. Simpson, D.W. Bearden,"Environmental Metabolomics: NMR Techniques," eMagRes 2 (2013) 549–560. http://dx.doi.org/10.1002/9780470034590.emrstm1352

S.A. Quideau, C.E. Norris, L.N. Soucémarianadin, R.E. Wasylishen,"Forest Ecology and Soils," eMagRes 2 (2013) 597–608. http://dx.doi.org/10.1002/9780470034590.emrstm1339

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