U. of Ottawa NMR Facility Blog Its Time to Move On

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[U. of Ottawa NMR Facility Blog] Its Time to Move On

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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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08-11-2020, 09:34 PM

nmrlearner

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Its Time to Move On

Its Time to Move On

After more than 28 years of serving the NMR Facility at the University of Ottawa, I have decided to retire at the end of 2020. My position will be posted this fall. What a fantastic job it is managing an NMR Facility! I have learned so much about NMR over the years and have taken great pleasure in helping so many students. I have particularly enjoyed writing this BLOG which was originally intended to answer the frequent questions asked of me by uOttawa students. To my surprise and delight, it has been useful to so many more people than just those at the University of Ottawa. Thank you for reading it.

It is now time for me to move on. Much less of this:

....and much more of this:

Cheers.

Source: University of Ottawa NMR Facility Blog

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