NMR tweet UCL Research: High resolution 1H nuclear magnetic resonance spectroscopic-based metabolomic urine analysis of ex... http://bit.ly/f8UR1h

		BioNMR > NMR community > Twitter NMR
[NMR tweet] UCL Research: High resolution 1H nuclear magnetic resonance spectroscopic-based metabolomic urine analysis of ex... http://bit.ly/f8UR1h

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

12-16-2010, 07:45 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,731

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

UCL Research: High resolution 1H nuclear magnetic resonance spectroscopic-based metabolomic urine analysis of ex... http://bit.ly/f8UR1h

UCL Research: High resolution 1H nuclear magnetic resonance spectroscopic-based metabolomic urine analysis of ex... http://bit.ly/f8UR1h

Published by ucl_discovery (UCL Discovery) on 2010-12-16T07:44:35Z

Source: Twitter

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[NMR tweet] Techniques of High Resolution Nuclear Magnetic Resonance Spectroscopy: http://awe.sm/5JI6E Techniques of High Resolution Nuclear Magnetic Resonance Spectroscopy: http://awe.sm/5JI6E Published by Idalianplq (Idalia Jew) on 2011-05-16T05:19:28Z Source: Twitter	nmrlearner	Twitter NMR	0	05-16-2011 05:33 AM
Analysis of complex mixtures using high-resolution nuclear magnetic resonance spectroscopy and chemometrics Analysis of complex mixtures using high-resolution nuclear magnetic resonance spectroscopy and chemometrics Publication year: 2011 Source: Progress in Nuclear Magnetic Resonance Spectroscopy, In Press, Accepted Manuscript, Available online 12 May 2011</br> James S., McKenzie , James A., Donarski , Julie C., Wilson , Adrian J., Charlton</br> Highlights:? Analysis of complex mixtures using NMR spectroscopy. ? Use of chemometrics for interpretation of spectra. ? Review of sample handling approaches. ? Discussion of spectral processing methods. ? Discussion of supervised and...	nmrlearner	Journal club	0	05-13-2011 07:41 AM
[NMR tweet] Techniques of High Resolution Nuclear Magnetic Resonance Spectroscopy: http://amzn.to/glU0RV Techniques of High Resolution Nuclear Magnetic Resonance Spectroscopy: http://amzn.to/glU0RV Published by Krystatk14 (Krysta Tabisula) on 2011-04-26T02:21:29Z Source: Twitter	nmrlearner	Twitter NMR	0	04-26-2011 02:24 AM
[NMR tweet] politics High resolution nuclear magnetic resonance investigation of ... http://dlvr.it/JJrDT politics High resolution nuclear magnetic resonance investigation of ... http://dlvr.it/JJrDT Published by news4trends (news4trends.com) on 2011-03-05T05:54:28Z Source: Twitter	nmrlearner	Twitter NMR	0	03-05-2011 06:17 AM
Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra Abstract Nuclear magnetic resonance (NMR) and Mass Spectroscopy (MS) are the two most common spectroscopic analytical techniques employed in metabolomics. The large spectral datasets generated by NMR and MS are often analyzed using data reduction techniques like Principal Component Analysis (PCA). Although rapid, these methods are susceptible to solvent and matrix effects, high rates of false positives, lack of reproducibility and limited data transferability from one platform to the next....	nmrlearner	Journal club	0	03-03-2011 02:06 AM
[NMR tweet] EDG: Nuclear magnetic resonance-based analysis of urine for the rapid etiological dia EDG: Nuclear magnetic resonance-based analysis of urine for the rapid etiological diagnosis of pneumonia: Expert... http://bit.ly/hSg6sr Published by ExpertOpinion (Expert Opinion) on 2010-11-27T04:30:10Z Source: Twitter	nmrlearner	Twitter NMR	0	11-27-2010 05:34 AM
[NMR tweet] High Resolution Nuclear Magnetic Resonance (Advance http://bookmooch.com/0070505160 # High Resolution Nuclear Magnetic Resonance (Advance http://bookmooch.com/0070505160 #kacarter #US #grdn #inv #chld #liter #entrtn #nfict Published by bookmooch (BookMooch) on 2010-10-25T19:31:18Z Source: Twitter	nmrlearner	Twitter NMR	0	10-25-2010 07:35 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 Off Trackbacks are Off Pingbacks are Off Refbacks are Off