Spin-Transfer Pathwaysin Paramagnetic Lithium Transition-MetalPhosphates from Combined Broadband Isotropic Solid-State MAS NMR Spectroscopyand DFT Calculations

		BioNMR > Educational resources > Journal club
Spin-Transfer Pathwaysin Paramagnetic Lithium Transition-MetalPhosphates from Combined Broadband Isotropic Solid-State MAS NMR Spectroscopyand DFT Calculations

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

10-10-2012, 03:14 PM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,732

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

Spin-Transfer Pathwaysin Paramagnetic Lithium Transition-MetalPhosphates from Combined Broadband Isotropic Solid-State MAS NMR Spectroscopyand DFT Calculations

Spin-Transfer Pathwaysin Paramagnetic Lithium Transition-MetalPhosphates from Combined Broadband Isotropic Solid-State MAS NMR Spectroscopyand DFT Calculations

Raphae?le J. Cle?ment, Andrew J. Pell, Derek S. Middlemiss, Fiona C. Strobridge, Joel K. Miller, M. Stanley Whittingham, Lyndon Emsley, Clare P. Grey and Guido Pintacuda

Journal of the American Chemical Society
DOI: 10.1021/ja306876u

Source: Journal of the American Chemical Society

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Probing Cation and VacancyOrdering in the Dry andHydrated Yttrium-Substituted BaSnO3 Perovskite by NMR Spectroscopyand First Principles Calculations: Implications for Proton Mobility Probing Cation and VacancyOrdering in the Dry andHydrated Yttrium-Substituted BaSnO3 Perovskite by NMR Spectroscopyand First Principles Calculations: Implications for Proton Mobility Lucienne Buannic, Fre?de?ric Blanc, Derek S. Middlemiss and Clare P. Grey http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja304712v/aop/images/medium/ja-2012-04712v_0012.gif Journal of the American Chemical Society DOI: 10.1021/ja304712v http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/L9351EyeKM8	nmrlearner	Journal club	0	08-24-2012 06:42 AM
Determination of the Lithium Binding Site in Inositol Monophosphatase, the Putative Target for Lithium Therapy, by Magic-Angle-Spinning Solid-State NMR Determination of the Lithium Binding Site in Inositol Monophosphatase, the Putative Target for Lithium Therapy, by Magic-Angle-Spinning Solid-State NMR Anat Haimovich, Uzi Eliav and Amir Goldbourt http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja211794x/aop/images/medium/ja-2011-11794x_0003.gif Journal of the American Chemical Society DOI: 10.1021/ja211794x http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/zT_WbDH70WA	nmrlearner	Journal club	0	03-16-2012 07:24 AM
Nuclear spin relaxation in isotropic and anisotropic media Nuclear spin relaxation in isotropic and anisotropic media Publication year: 2010 Source:Progress in Nuclear Magnetic Resonance Spectroscopy, Volume 57, Issue 2</br> Matthew P. Nicholas, Ertan Eryilmaz, Fabien Ferrage, David Cowburn, Ranajeet Ghose</br> </br> </br></br>	nmrlearner	Journal club	0	03-09-2012 09:16 AM
Investigation of the Interface in Silica-Encapsulated Liposomes by Combining Solid State NMR and First Principles Calculations Investigation of the Interface in Silica-Encapsulated Liposomes by Combining Solid State NMR and First Principles Calculations Nicolas Folliet, Claire Roiland, Sylvie Be?gu, Anne Aubert, Tzonka Mineva, Annick Goursot, Kaliaperumal Selvaraj, Luminita Duma, Frederik Tielens, Francesco Mauri, Guillaume Laurent, Christian Bonhomme, Christel Gervais, Florence Babonneau and Thierry Azai?s http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja201002r/aop/images/medium/ja-2011-01002r_0009.gif Journal of the American Chemical Society DOI:...	nmrlearner	Journal club	0	10-05-2011 08:52 AM
Pair Distribution Function Analysis and Solid State NMR Studies of Silicon Electrodes for Lithium Ion Batteries: Understanding the (De)lithiation Mechanisms Pair Distribution Function Analysis and Solid State NMR Studies of Silicon Electrodes for Lithium Ion Batteries: Understanding the (De)lithiation Mechanisms Baris Key, Mathieu Morcrette, Jean-Marie Tarascon and Clare P. Grey http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja108085d/aop/images/medium/ja-2010-08085d_0006.gif Journal of the American Chemical Society DOI: 10.1021/ja108085d http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/WYK7o0vOALs	nmrlearner	Journal club	0	12-21-2010 02:14 AM
[NMR paper] Anomalous diffusion in a gel-fluid lipid environment: a combined solid-state NMR and Anomalous diffusion in a gel-fluid lipid environment: a combined solid-state NMR and obstructed random-walk perspective. Related Articles Anomalous diffusion in a gel-fluid lipid environment: a combined solid-state NMR and obstructed random-walk perspective. Biophys J. 2004 Oct;87(4):2456-69 Authors: Arnold A, Paris M, Auger M Lateral diffusion is an essential process for the functioning of biological membranes. Solid-state nuclear magnetic resonance (NMR) is, a priori, a well-suited technique to study lateral diffusion within a heterogeneous...	nmrlearner	Journal club	0	11-24-2010 10:01 PM
Broadband Heteronuclear Solid-State NMR Experiments by Exponentially Modulated Dipola Broadband Heteronuclear Solid-State NMR Experiments by Exponentially Modulated Dipolar Recoupling without Decoupling. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.pubmedcentral.nih.gov-corehtml-pmc-pmcgifs-pubmed-pmc-MS.gif Related Articles Broadband Heteronuclear Solid-State NMR Experiments by Exponentially Modulated Dipolar Recoupling without Decoupling. J Phys Chem Lett. 2010 Jun 1;1(13):1952-1956 Authors: Nielsen AB, Straasø LA, Nieuwkoop AJ, Rienstra CM, Bjerring M, Nielsen NC We present a novel solid-state NMR method for...	nmrlearner	Journal club	0	08-17-2010 03:36 AM
Nuclear Spin Relaxation in Isotropic and Anisotropic Media Nuclear Spin Relaxation in Isotropic and Anisotropic Media Publication year: 2010 Source: Progress in Nuclear Magnetic Resonance Spectroscopy, In Press, Accepted Manuscript, Available online 29 April 2010</br> Matthew P., Nicholas , Ertan, Eryilmaz , Fabien, Ferrage , David, Cowburn , Ranajeet, Ghose</br> We present a unified framework to describe nuclear spin relaxation in isotropic and anisotropic solutions for single-domain diffusers. All expressions, diffusion and net spin-relaxation theory are derived ab initio. Complete analytical expressions are provided wherever...	nmrlearner	Journal club	0	08-16-2010 03:50 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 On Trackbacks are Off Pingbacks are Off Refbacks are Off