NMR images Peak shapes in NMR Spectroscopy

		BioNMR > NMR community > NMR pictures
[NMR images] Peak shapes in NMR Spectroscopy

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:

View First Unread

Thread Tools

Search this Thread

Rate Thread

Display Modes

06-02-2014, 08:49 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,175

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

Peak shapes in NMR Spectroscopy

2/06/2014 8:50:00 AM GMT
Peak shapes in NMR Spectroscopy
More...

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Peak height versus peak volume Given a standard NOESY-based protein structure determination: Does anyone have any information on the benefits of measuring peak intensity by a volume integration method rather than simply measuring the peak height. Obviously integration is theoretically more accurate, but does it make any difference to the quality of the structures produced? especially if peak lineshapes are comparable? I was hoping to find some study comparing structures produced by both methods..... I'm also curious about the benefits of distance-calbrating NOEs to a curve rather than simply putting restraints...	paul	NMR Questions and Answers	3	09-15-2015 07:48 PM
[Question from NMRWiki Q&A forum] NOE help, pulse shapes, pbox NOE help, pulse shapes, pbox Ok, let's face it. I don't know what I'm doing. I'm a separations chemist running our NMR. sigh. Anyway, I have been completely unsuccessful in getting any 1D selective excitation experiments to work. 2D run beautifully and give the results I expect, but if I try and select a a peak that had noe/roe interactions, the 1D comes up totally blank. I've adjusted mixing times to be in the correct window for each peak that I've tried to observe. The probe has been recently calibrated for optimal pw etc. My biggest fear is that I'm going to have to crack open...	nmrlearner	News from other NMR forums	0	01-25-2013 10:19 PM
NMR line shapes and multi-state binding equilibria NMR line shapes and multi-state binding equilibria Abstract Biological function of proteins relies on conformational transitions and binding of specific ligands. Proteinâ??ligand interactions are thermodynamically and kinetically coupled to conformational changes in protein structures as conceptualized by the models of pre-existing equilibria and induced fit. NMR spectroscopy is particularly sensitive to complex ligand-binding modesâ??NMR line-shape analysis can provide for thermodynamic and kinetic constants of ligand-binding equilibria with the site-specific resolution. However,...	nmrlearner	Journal club	0	05-24-2012 05:54 AM
[NMR paper] Application of NMR SHAPES screening to an RNA target. Application of NMR SHAPES screening to an RNA target. Related Articles Application of NMR SHAPES screening to an RNA target. J Am Chem Soc. 2003 Dec 24;125(51):15724-5 Authors: Johnson EC, Feher VA, Peng JW, Moore JM, Williamson JR Several NMR screening techniques have been developed in recent years to aid in the identification of lead drug compounds. These NMR methods have traditionally been used for protein targets, and here we examine their applicability for an RNA target. We used the SHAPES compound library to test three different NMR...	nmrlearner	Journal club	0	11-24-2010 09:16 PM
[NMR paper] The SHAPES strategy: an NMR-based approach for lead generation in drug discovery. The SHAPES strategy: an NMR-based approach for lead generation in drug discovery. Related Articles The SHAPES strategy: an NMR-based approach for lead generation in drug discovery. Chem Biol. 1999 Oct;6(10):755-69 Authors: Fejzo J, Lepre CA, Peng JW, Bemis GW, Ajay , Murcko MA, Moore JM BACKGROUND: Recently, it has been shown that nuclear magnetic resonance (NMR) may be used to identify ligands that bind to low molecular weight protein drug targets. Recognizing the utility of NMR as a very sensitive method for detecting binding, we have...	nmrlearner	Journal club	0	11-18-2010 08:31 PM
[NMR paper] Automated peak picking and peak integration in macromolecular NMR spectra using AUTOP Automated peak picking and peak integration in macromolecular NMR spectra using AUTOPSY. Related Articles Automated peak picking and peak integration in macromolecular NMR spectra using AUTOPSY. J Magn Reson. 1998 Dec;135(2):288-97 Authors: Koradi R, Billeter M, Engeli M, Güntert P, Wüthrich K A new approach for automated peak picking of multidimensional protein NMR spectra with strong overlap is introduced, which makes use of the program AUTOPSY (automated peak picking for NMR spectroscopy). The main elements of this program are a novel...	nmrlearner	Journal club	0	11-17-2010 11:15 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