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NMR processing:
MDD
NMR assignment:
Backbone:
Autoassign
MARS
UNIO Match
PINE
Side-chains:
UNIO ATNOS-Ascan
NOEs:
UNIO ATNOS-Candid
UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
XPLOR-NIH
ASDP
UNIO ATNOS-Candid
UNIO Candid
Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
Amber
Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
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:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
RefDB
NMR model quality:
NOEs, other restraints:
PROSESS
PSVS
RPF scores
iCing
Chemical shifts:
PROSESS
CheShift2
Vasco
iCing
RDCs:
DC
Anisofit
Pseudocontact shifts:
Anisofit
Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
Prosa
ProQ
MetaMQAPII
PSQS
Eval123D
STAN
Ramachandran Plot
Rampage
ERRAT
Verify_3D
Harmony
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:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
sedNMR

Showing results 1 to 12 of 12
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Search: Posts Made By: mrevingt
Forum: NMR Questions and Answers 04-02-2007, 08:52 PM
Replies: 3
Views: 18,035
Posted By mrevingt
Peak height vs volume

I haven't seen any studies comparing structures calculated from peak heights or volumes but Peter Wright's group did analysis a few years ago about the differences in relaxation rates calculated from...
Forum: NMR Questions and Answers 02-20-2007, 02:16 PM
Replies: 1
Views: 6,945
Posted By mrevingt
Relaxation Dispersion

A good early paper that goes into some detail about the parameters and theory is:

Measurement of Slow (s-ms) Time Scale Dynamics in Protein Side Chains by 15N Relaxation Dispersion NMR...
Forum: Books 12-04-2006, 01:21 PM
Replies: 4
Views: 20,305
Posted By mrevingt
The new edition of Cavanagh et al has finally...

The new edition of Cavanagh et al has finally been released, amazon notified me today that it is in the mail. (still $62 Canadian on amazon.ca)
Forum: NMR Questions and Answers 11-15-2006, 04:41 PM
Replies: 3
Views: 7,743
Posted By mrevingt
Was some effort made to allow amide exchange to...

Was some effort made to allow amide exchange to occur, ie unfolding and refolding in H2O, before you ran your spectra? If not you may not have enough amide protons there for HN experiments to work. ...
Forum: NMR Questions and Answers 11-13-2006, 04:27 PM
Replies: 3
Views: 7,743
Posted By mrevingt
The CBCA(CO)NH experiment depends on an initial...

The CBCA(CO)NH experiment depends on an initial 1H-13C transfer if your protein is deuterated you have no 1H's to excite on the carbons so you will get no signal, when you have a deuterated protein...
Forum: Structural analysis 09-19-2006, 12:11 PM
Replies: 1
Views: 11,701
Posted By mrevingt
Try ProFunc from Janet Thornton's group "It...

Try ProFunc from Janet Thornton's group

"It uses both sequence- and structure-based methods to try to provide clues as the the protein's likely or possible function. Often, where one method fails...
Forum: Books 09-19-2006, 11:52 AM
Replies: 1
Views: 15,875
Posted By mrevingt
You could include the Evans book (Biomolecular...

You could include the Evans book (Biomolecular NMR Spectroscopy), not my favourite but some beginners like it and you could include Wuthrich's book for historical/sentimental reasons.
Forum: NMR research groups 09-08-2006, 12:22 PM
Replies: 3
Views: 25,773
Posted By mrevingt
Thanks Mark, that very kind. I hope everything...

Thanks Mark, that very kind.
I hope everything is working out for you and Valentyna in Edmonton.
Forum: Books 09-08-2006, 12:19 PM
Replies: 4
Views: 20,305
Posted By mrevingt
The new edition is now available, I ordered it...

The new edition is now available, I ordered it off of amazon.ca yesterday for $65 canadian, 35% off of the list price.
Forum: NMR research groups 03-24-2006, 08:50 PM
Replies: 3
Views: 25,773
Posted By mrevingt
NMR Group of Gary Shaw at the University of Western Ontario

NMR Group of Gary Shaw at the University of Western Ontario

http://www.biochem.uwo.ca/fac/shaw/ (http://www.bionmr.com/forum/redirector.php?url=http%3A%2F%2Fwww.biochem.uwo.ca%2Ffac%2Fshaw%2F)
Forum: Books 03-24-2006, 04:44 PM
Replies: 1
Views: 18,410
Posted By mrevingt
Angry Sorry first post, I didn't realize the topic...

Sorry first post, I didn't realize the topic wouldn't show up in the post.

The book is

Structural Biology-Practical NMR applications by Quincy Teng
Forum: Books 03-24-2006, 04:39 PM
Replies: 1
Views: 18,410
Posted By mrevingt
Structural Biology-Practical NMR...

Structural Biology-Practical NMR Applications-Quincy Teng
I have just seen this book and have had time to skim it, seems like an excellent book to base an upper level undergrad or a grad course on,...
Showing results 1 to 12 of 12

 
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