Stan NMR blog A free tool predicts vicinal J's

		BioNMR > NMR community > News from NMR blogs
[Stan NMR blog] A free tool predicts vicinal J's

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

08-21-2010, 05:42 PM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,779

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

Why does proton nmr splitting produce different sized peaks within the split?

A free tool predicts vicinal J's

The handy MestReJ utility from Mestrelab incorporates all Karplus-like rules

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
(1)H-Detected (13)C Photo-CIDNP as a Sensitivity Enhancement Tool in Solution NMR. (1)H-Detected (13)C Photo-CIDNP as a Sensitivity Enhancement Tool in Solution NMR. (1)H-Detected (13)C Photo-CIDNP as a Sensitivity Enhancement Tool in Solution NMR. J Am Chem Soc. 2011 May 6; Authors: Lee JH, Sekhar A, Cavagnero S NMR is a powerful yet intrinsically insensitive technique. The applicability of NMR to chemical and biological systems would be substantially extended by new approaches going beyond current signal-to-noise capabilities. Here, we exploit the large enhancements arising from (13)C photochemically induced dynamic nuclear...	nmrlearner	Journal club	0	05-10-2011 05:11 PM
1H-Detected 13C Photo-CIDNP as a Sensitivity Enhancement Tool in Solution NMR 1H-Detected 13C Photo-CIDNP as a Sensitivity Enhancement Tool in Solution NMR Jung Ho Lee, Ashok Sekhar and Silvia Cavagnero http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja111613c/aop/images/medium/ja-2010-11613c_0005.gif Journal of the American Chemical Society DOI: 10.1021/ja111613c http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/nDw3hSNxR80	nmrlearner	Journal club	0	05-06-2011 05:57 PM
[NMR paper] Chemical proteomic tool for ligand mapping of CYP antitargets: an NMR-compatible 3D Q Chemical proteomic tool for ligand mapping of CYP antitargets: an NMR-compatible 3D QSAR descriptor in the Heme-Based Coordinate System. Related Articles Chemical proteomic tool for ligand mapping of CYP antitargets: an NMR-compatible 3D QSAR descriptor in the Heme-Based Coordinate System. J Chem Inf Comput Sci. 2004 Jul-Aug;44(4):1456-65 Authors: Yao H, Costache AD, Sem DS Chemical proteomic strategies strive to probe and understand protein-ligand interactions across gene families. One gene family of particular interest in drug and xenobiotic...	nmrlearner	Journal club	0	11-24-2010 09:51 PM
[NMR paper] Joint refinement as a tool for thorough comparison between NMR and X-ray data and str Joint refinement as a tool for thorough comparison between NMR and X-ray data and structures of HU protein. Related Articles Joint refinement as a tool for thorough comparison between NMR and X-ray data and structures of HU protein. J Biomol NMR. 2001 Nov;21(3):235-48 Authors: Raves ML, Doreleijer JF, Vis H, Vorgias CE, Wilson KS, Kaptei R Joint refinement, i.e., the simultaneous refinement of a structure against both nuclear magnetic resonance (NMR) spectroscopic and X-ray crystallographic data, was performed on the HU protein from Bacillus...	nmrlearner	Journal club	0	11-19-2010 08:44 PM
[BMNRC community] MatGAT (Matrix Global Alignment Tool) MatGAT (Matrix Global Alignment Tool) MatGAT (Matrix Global Alignment Tool) is a simple, easy to use similarity/identity matrix generator http://bitincka.com/ledion/matgat/ Go to BMNRC community to find more info about this topic.	nmrlearner	News from other NMR forums	0	09-09-2010 12:29 PM
[NMR paper] Mass spectrometry--a useful tool for the protein X-ray crystallographer and NMR spect Mass spectrometry--a useful tool for the protein X-ray crystallographer and NMR spectroscopist. Related Articles Mass spectrometry--a useful tool for the protein X-ray crystallographer and NMR spectroscopist. Structure. 1994 Jun 15;2(6):465-7 Authors: Chait BT	nmrlearner	Journal club	0	08-22-2010 03:33 AM
[NMR paper] Mass spectrometry--a useful tool for the protein X-ray crystallographer and NMR spect Mass spectrometry--a useful tool for the protein X-ray crystallographer and NMR spectroscopist. Related Articles Mass spectrometry--a useful tool for the protein X-ray crystallographer and NMR spectroscopist. Structure. 1994 Jun 15;2(6):465-7 Authors: Chait BT	nmrlearner	Journal club	0	08-22-2010 03:33 AM

« 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