NMR Structures Get Sharper With Rosetta - The Biological SCENE

		BioNMR > NMR community > Online News
NMR Structures Get Sharper With Rosetta - The Biological SCENE

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

01-31-2014, 05:55 AM

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

NMR Structures Get Sharper With Rosetta - The Biological SCENE

The Biological SCENE

NMR Structures Get Sharper With Rosetta
The Biological SCENE
For determining protein structure, X-ray crystallography typically beats nuclear magnetic resonance spectroscopy for accuracy. But chemists now report that, in most cases, NMR structures refined by a computer program called Rosetta match more closely ...

NMR Structures Get Sharper With Rosetta - The Biological SCENE
More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Fuzzy NMR Structures Get Sharper - The Biological SCENE http://www.bionmr.com//t1.gstatic.com/images?q=tbn:ANd9GcTewkunW2cElnFDlY_SHZKhJFhmDeBRbo9BesHt1yIlV8ubCY02W4b6PKIBRzy52Xj65SxFU3uT The Biological SCENE <img alt="" height="1" width="1" /> Fuzzy NMR Structures Get Sharper The Biological SCENE For protein structure determination, X-ray crystallography typically beats nuclear magnetic resonance (NMR) spectroscopy in terms of accuracy. But a computer program called Rosetta may help NMR catch up, chemists report. They used the program to refine ... Fuzzy NMR Structures Get Sharper - The Biological SCENE	nmrlearner	Online News	0	01-27-2014 09:59 PM
ProteinNMR Structures Refined with Rosetta Have HigherAccuracy Relative to Corresponding X-ray Crystal Structures ProteinNMR Structures Refined with Rosetta Have HigherAccuracy Relative to Corresponding X-ray Crystal Structures Binchen Mao, Roberto Tejero, David Baker and Gaetano T. Montelione http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja409845w/aop/images/medium/ja-2013-09845w_0009.gif Journal of the American Chemical Society DOI: 10.1021/ja409845w http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/7Lshnyi2_Vs	nmrlearner	Journal club	0	01-24-2014 10:47 AM
[NMR paper] Protein NMR Structures Refined with Rosetta Have Higher Accuracy Relative to Corresponding X-ray Crystal Structures. Protein NMR Structures Refined with Rosetta Have Higher Accuracy Relative to Corresponding X-ray Crystal Structures. Protein NMR Structures Refined with Rosetta Have Higher Accuracy Relative to Corresponding X-ray Crystal Structures. J Am Chem Soc. 2014 Jan 6; Authors: Mao B, Tejero R, Baker D, Montelione GT Abstract We have found that refinement of protein NMR structures using Rosetta with experimental NMR restraints yields more accurate protein NMR structures than those that have been deposited in the PDB using standard refinement...	nmrlearner	Journal club	0	01-08-2014 11:23 AM
Simple, Portable Test Could Make Blood Transfusions Safer - The Biological SCENE http://www.bionmr.com//t0.gstatic.com/images?q=tbn:ANd9GcSGXgY1uAMgZIPQ9YQpVVl4ArdepRuMepq49fPVBjk7RR9of5AonBHSZKZY425muw38iqfvy_Y The Biological SCENE <img alt="" height="1" width="1" /> Simple, Portable Test Could Make Blood Transfusions Safer The Biological SCENE To that end, Hakho Lee and his colleagues at Massachusetts General Hospital have developed a chip-based sensor that uses a miniaturized nuclear magnetic resonance system to accurately count microvesicles as well as detect the proteins that they carry. and more » Simple, Portable Test Could Make Blood Transfusions...	nmrlearner	Online News	0	12-18-2013 03:14 AM
Newly Discovered Molecule Cuts Bacterial Proteins Short - The Biological SCENE <img alt="" height="1" width="1" /> Newly Discovered Molecule Cuts Bacterial Proteins Short The Biological SCENE With additional separations, they isolated the active compound and determined the structure using nuclear magnetic resonance spectroscopy. The compound included a collage of functional groups, but its unique feature was an orthoformate moietyâ??a trio ... Newly Discovered Molecule Cuts Bacterial Proteins Short - The Biological SCENE More...	nmrlearner	Online News	0	08-09-2013 04:40 AM
Breast Milk Science: Toward Preemie Probiotics - The Biological SCENE http://www.bionmr.com//t0.gstatic.com/images?q=tbn:ANd9GcT8CrTSXMSCRsg4qcKRDEkhPqcSiXMGjYIxQungfzoNmT_JWjS-e38HIEISGMog3EUmv20v-P8H The Biological SCENE <img alt="" height="1" width="1" /> Breast Milk Science: Toward Preemie Probiotics The Biological SCENE In addition to Lebrilla's oligosaccharide, protein, and peptide analyses, UC Davis food science professor Carolyn M. Slupsky uses nuclear magnetic resonance spectroscopy to look at how compounds in blood and urine respond to a baby's diet, as well as ... Breast Milk Science: Toward Preemie Probiotics - The Biological SCENE	nmrlearner	Online News	0	07-09-2013 02:41 AM
Proteins Made To Order - The Biological SCENE Proteins Made To Order - The Biological SCENE http://www.bionmr.com//nt3.ggpht.com/news/tbn/F-bqGsEbXXBhFM/6.jpg The Biological SCENE <img alt="" height="1" width="1" /> Proteins Made To Order The Biological SCENE Each red dot in the energy landscape is the lowest energy structure of the amino acid sequence of a designed protein as predicted by a Rosetta@home volunteer. The actual structure obtained with NMR (blue) closely matches the intended design structure ...	nmrlearner	Online News	0	11-12-2012 05:43 PM
[BMNRC community] CS-ROSETTA: System for chemical shifts based protein structure prediction using ROSETTA CS-ROSETTA: System for chemical shifts based protein structure prediction using ROSETTA http://spin.niddk.nih.gov/bax/ http://condor.bmrb.wisc.edu/bbee/rosetta/	nmrlearner	News from other NMR forums	0	07-12-2011 08:26 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