Defects in Doped LaGaO3 Anionic Conductors: Linking NMR Spectral Features, Local Environments, and Defect Thermodynamics

		BioNMR > Educational resources > Journal club
Defects in Doped LaGaO3 Anionic Conductors: Linking NMR Spectral Features, Local Environments, and Defect Thermodynamics

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

10-14-2011, 07:16 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,184

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

Defects in Doped LaGaO3 Anionic Conductors: Linking NMR Spectral Features, Local Environments, and Defect Thermodynamics

Defects in Doped LaGaO3 Anionic Conductors: Linking NMR Spectral Features, Local Environments, and Defect Thermodynamics

Fre?de?ric Blanc, Derek S. Middlemiss, Zhehong Gan and Clare P. Grey

Journal of the American Chemical Society
DOI: 10.1021/ja2053557

Source: Journal of the American Chemical Society

Did you find this post helpful?

10-14-2011, 08:08 AM

PedroDepue PedroDepue is offline

Junior Member

Join Date: Oct 2011

Posts: 1

Points: 10, Level: 1

Level up: 19%, 40 Points needed

Activity: 0%

NMR Credits: 0

NMR Points: 10

Downloads: 0

Uploads: 0

thank you very much....

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Solution NMR of a 463-ResiduePhosphohexomutase: Domain4 Mobility, Substates, and Phosphoryl Transfer Defect Solution NMR of a 463-ResiduePhosphohexomutase: Domain4 Mobility, Substates, and Phosphoryl Transfer Defect http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/bi201609n/aop/images/medium/bi-2011-01609n_0013.gif Biochemistry DOI: 10.1021/bi201609n http://feeds.feedburner.com/~ff/acs/bichaw?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/bichaw/~4/dwZnUvmV61M More...	nmrlearner	Journal club	0	01-18-2012 03:07 AM
Linking Local Environments and Hyperfine Shifts: A Combined Experimental and Theoreti Linking Local Environments and Hyperfine Shifts: A Combined Experimental and Theoretical 31P and 7Li Solid-State NMR Study of Paramagnetic Fe(III) Phosphates Jongsik Kim, Derek S. Middlemiss, Natasha A. Chernova, Ben Y. X. Zhu, Christian Masquelier and Clare P. Grey http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja102678r/aop/images/medium/ja-2010-02678r_0003.gif Journal of the American Chemical Society DOI: 10.1021/ja102678r http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA...	nmrlearner	Journal club	0	11-17-2010 06:08 PM
[NMR thesis] NMR study of fluoride ion diffusion in potassium-doped ?-PbF_2 NMR study of fluoride ion diffusion in potassium-doped ?-PbF_2 Cannon, David M. (1978) NMR study of fluoride ion diffusion in potassium-doped ?-PbF_2. Master's thesis, California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:03292010-111321744 More...	nmrlearner	NMR theses	0	08-27-2010 01:45 AM
[NMR paper] Redox-dependent 1H NMR spectral features and tertiary structural constraints on the C Redox-dependent 1H NMR spectral features and tertiary structural constraints on the C-terminal region of putidaredoxin. Related Articles Redox-dependent 1H NMR spectral features and tertiary structural constraints on the C-terminal region of putidaredoxin. Biochemistry. 1994 May 31;33(21):6433-41 Authors: Pochapsky TC, Ratnaswamy G, Patera A Putidaredoxin (Pdx) is a 106-residue Fe2S2 ferredoxin which acts as the physiological reductant and effector of cytochrome P-450cam. Pdx has two accessible oxidation states, Fe+3-Fe+3 (oxidized) and...	nmrlearner	Journal club	0	08-22-2010 03:33 AM
[NMR paper] Lipid specificity in the interaction of cytochrome c with anionic phospholipid bilaye Lipid specificity in the interaction of cytochrome c with anionic phospholipid bilayers revealed by solid-state 31P NMR. Related Articles Lipid specificity in the interaction of cytochrome c with anionic phospholipid bilayers revealed by solid-state 31P NMR. Biochemistry. 1994 Mar 8;33(9):2451-8 Authors: Pinheiro TJ, Watts A Phosphorus-31 NMR has been used to investigate the interaction of cytochrome c with bilayers of the anionic lipids dioleoylphosphatidylglycerol (DOPG), dioleoylphosphatidylserine (DOPS), and diacylphosphatidylinositol...	nmrlearner	Journal club	0	08-22-2010 03:33 AM
[NMR paper] Redox-dependent 1H NMR spectral features and tertiary structural constraints on the C Redox-dependent 1H NMR spectral features and tertiary structural constraints on the C-terminal region of putidaredoxin. Related Articles Redox-dependent 1H NMR spectral features and tertiary structural constraints on the C-terminal region of putidaredoxin. Biochemistry. 1994 May 31;33(21):6433-41 Authors: Pochapsky TC, Ratnaswamy G, Patera A Putidaredoxin (Pdx) is a 106-residue Fe2S2 ferredoxin which acts as the physiological reductant and effector of cytochrome P-450cam. Pdx has two accessible oxidation states, Fe+3-Fe+3 (oxidized) and...	nmrlearner	Journal club	0	08-22-2010 03:33 AM
[NMR paper] Lipid specificity in the interaction of cytochrome c with anionic phospholipid bilaye Lipid specificity in the interaction of cytochrome c with anionic phospholipid bilayers revealed by solid-state 31P NMR. Related Articles Lipid specificity in the interaction of cytochrome c with anionic phospholipid bilayers revealed by solid-state 31P NMR. Biochemistry. 1994 Mar 8;33(9):2451-8 Authors: Pinheiro TJ, Watts A Phosphorus-31 NMR has been used to investigate the interaction of cytochrome c with bilayers of the anionic lipids dioleoylphosphatidylglycerol (DOPG), dioleoylphosphatidylserine (DOPS), and diacylphosphatidylinositol...	nmrlearner	Journal club	0	08-22-2010 03:33 AM
[NMR paper] 1H-NMR assignments and local environments of aromatic residues in bovine, human and g 1H-NMR assignments and local environments of aromatic residues in bovine, human and guinea pig variants of alpha-lactalbumin. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www3.interscience.wiley.com-aboutus-images-wiley_interscience_pubmed_logo_FREE_120x27.gif Related Articles 1H-NMR assignments and local environments of aromatic residues in bovine, human and guinea pig variants of alpha-lactalbumin. Eur J Biochem. 1992 Dec 15;210(3):699-709 Authors: Alexandrescu AT, Broadhurst RW, Wormald C, Chyan CL, Baum J, Dobson CM 1H-NMR...	nmrlearner	Journal club	0	08-21-2010 11:45 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