NMR900 blog Encyclopedia of Inorganic and Bioinorganic Chemistry

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[NMR900 blog] Encyclopedia of Inorganic and Bioinorganic Chemistry

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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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12-13-2011, 02:46 AM

nmrlearner

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Encyclopedia of Inorganic and Bioinorganic Chemistry

Encyclopedia of Inorganic and Bioinorganic Chemistry

A selection of NMR papers by Canadian researchers from the Encyclopedia of Inorganic and Bioinorganic Chemistry (EIBC), a new 10,000+ page reference tool in the area of inorganic and bioinorganic chemistry.

http://dx.doi.org/10.1002/9781119951438

Please let us know if we have missed/overlooked your chapter!

S.M. Gagné, "Troponin C," Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley (2011).
http://dx.doi.org/10.1002/9781119951438.eibc0505

K.L. Yap and M. Ikura, "Calmodulin," Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley (2011).
http://dx.doi.org/10.1002/9781119951438.eibc0504

T. Moldoveanu, Q. Liu, D.R. Green and K. Gehring, "BAK," Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley (2011).
http://dx.doi.org/10.1002/9781119951438.eibc0662

K.D. Krewulak, W. Köster and H.J. Vogel, "Siderophore-Binding Periplasmatic Protein FhuD and Related Periplasmic Binding Proteins Involved in Bacterial Iron Uptake," Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley (2011).
http://dx.doi.org/10.1002/9781119951438.eibc0670

D.B. Leznoff, G. Mund, "Paramagnetic Organometallic Complexes," Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley (2011).
http://dx.doi.org/10.1002/9781119951438.eibc0166

G.S. McGrady, J.W. Steed, "Hypervalent Compounds," Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley (2011).
http://dx.doi.org/10.1002/9781119951438.eibc0089

S.I. Gorelsky, "Abinitio and Semiempirical Methods," Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley (2011).
http://dx.doi.org/10.1002/9781119951438.eibc0377

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