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[NMR900 blog] Magnetic Resonance in Chemistry Special Issue: NMR of Liquid Crystals

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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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10-17-2014, 04:48 PM

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Magnetic Resonance in Chemistry Special Issue: NMR of Liquid Crystals

Magnetic Resonance in Chemistry Special Issue: NMR of Liquid Crystals

Magnetic Resonance in Chemistry
Special Issue: NMR of Liquid CrystalsOctober 2014, Volume 52, Issue 10 Pages 531–663

guest-edited by Ronald Y. Dong (UBC)

Ronald Y. Dong, "MRC special issue on NMR of liquid crystals," (Editorial) Magnetic Resonance in Chemistry 52 (2014) 531. http://dx.doi.org/10.1002/mrc.4109

Canadian contributions
A.P. Manning, M. Giese, A.S. Terpstra, M.J. MacLachlan, W.Y. Hamad, R.Y. Dong and C.A. Michal, "NMR of guest-host systems: 8CB in chiral nematic porous glasses" Magnetic Resonance in Chemistry 52 (2014) 532–539. http://dx.doi.org/10.1002/mrc.4101

A. Ferraz, J. Zhang, P.J. Sebastião, A.C. Ribeiro and R.Y. Dong, "Proton and deuterium nuclear spin relaxation study of the SmA and SmC* phases of BP8Cl-d17: a self-consistent analysis" Magnetic Resonance in Chemistry 52 (2014) 546–555. http://dx.doi.org/10.1002/mrc.4107

A.C.J. Weber, D.H.J. Chen, "Conformational problem of alkanes in liquid crystals by NMR spectroscopy" Magnetic Resonance in Chemistry 52 (2014) 560–569. (Review) http://dx.doi.org/10.1002/mrc.4124

E.E. Burnell, R.Y. Dong, A.C.J. Weber and A. Yethiraj, "NMR of solutes in nematic and smectic A liquid crystals: the anisotropic intermolecular potential," Magnetic Resonance in Chemistry 52 (2014) 570–580. (Review) http://dx.doi.org/10.1002/mrc.4113

J.L. Figueirinhas, R.Y. Dong, "NMR of bent-core nematogens: a mini-review," Magnetic Resonance in Chemistry 52 (2014) 614–624. (Review) http://dx.doi.org/10.1002/mrc.4097

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