U. of Ottawa NMR Facility Blog In Honor of Rod Wasylishen

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[U. of Ottawa NMR Facility Blog] In Honor of Rod Wasylishen

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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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08-06-2011, 01:27 AM

nmrlearner

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In Honor of Rod Wasylishen

In Honor of Rod Wasylishen

Rod Wasylishen is dear to the hearts of the entire Canadian NMR community and to many worldwide. Not only are his scientific achievements stellar, but he has mentored an entire generation of Canadian NMR spectroscopists with his contagious curiosity and positive approach to research. All who have had the privilege of working with Rod speak highly of him. In his honor, his former students and colleagues have contributed to a special issue of the Canadian Journal of Chemistry - a journal Rod has enthusiastically supported throughout his career.

Congratulations Rod!

Source: University of Ottawa NMR Facility Blog

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