Question from NMRWiki Q&A forum Chenomx Libraries

		BioNMR > NMR community > News from other NMR forums
[Question from NMRWiki Q&A forum] Chenomx Libraries

Webservers

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:

Thread Tools

Search this Thread

Rate Thread

Display Modes

07-13-2012, 10:46 PM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,777

Points: 193,617, Level: 100

Level up: 0%, 0 Points needed

Activity: 50.7%

Last Achievements

Award-Showcase

NMR Credits: 0

NMR Points: 193,617

Downloads: 0

Uploads: 0

Chenomx Libraries

Chenomx Libraries

Hey all--

I've been using Chenomx Suite for metabolomics research. Chenomx allows the user to create custom compounds from their own experimental spectra, so that the user is not limited to those compounds which come with the software. My questions are these:

If my laboratory comes up with a library of "custom" compounds to fit our needs, is there any legal reason why we would not be allowed to make that library public, so that others could also benefit? I'm only asking because the file type, .cnx, is proprietary.
If there is no reason, are there any laboratories that have begun doing this? Are there any, sort of, centralized depositories for such libraries?

Best,

–Davis

Check if somebody has answered this question on NMRWiki QA forum

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[Ryan's blog] The Black Swan of Compound Libraries Source: Ryan's blog The Black Swan of Compound Libraries Recently I finished a great book that made me think about different things on a lot of different levels. The book is called The Black Swan and the author is Nassim Nicholas Taleb. In short, a black swan is defined... Read more...	nmrlearner	News from NMR blogs	0	02-21-2011 10:57 PM
[NMR paper] Design and characterization of libraries of molecular fragments for use in NMR screen Design and characterization of libraries of molecular fragments for use in NMR screening against protein targets. Related Articles Design and characterization of libraries of molecular fragments for use in NMR screening against protein targets. J Chem Inf Comput Sci. 2004 Nov-Dec;44(6):2157-66 Authors: Baurin N, Aboul-Ela F, Barril X, Davis B, Drysdale M, Dymock B, Finch H, Fromont C, Richardson C, Simmonite H, Hubbard RE We have designed four generations of a low molecular weight fragment library for use in NMR-based screening against protein...	nmrlearner	Journal club	0	11-24-2010 10:03 PM
[NMR paper] Use of 19F NMR spectroscopy to screen chemical libraries for ligands that bind to pro Use of 19F NMR spectroscopy to screen chemical libraries for ligands that bind to proteins. Related Articles Use of 19F NMR spectroscopy to screen chemical libraries for ligands that bind to proteins. Org Biomol Chem. 2004 Mar 7;2(5):725-31 Authors: Tengel T, Fex T, Emtenas H, Almqvist F, Sethson I, Kihlberg J Identification of compounds from chemical libraries that bind to macromolecules by use of NMR spectroscopy has gained increasing importance during recent years. A simple methodology based on (19)F NMR spectroscopy for the screening of...	nmrlearner	Journal club	0	11-24-2010 09:25 PM

« Previous Thread | Next Thread »

Posting Rules
You may not post new threads You may not post replies You may not post attachments You may not edit your posts BB code is On Smilies are On [IMG] code is On HTML code is On Trackbacks are Off Pingbacks are Off Refbacks are Off