DynamicNuclear Polarization Enhanced NMR Spectroscopyfor Pharmaceutical Formulations

		BioNMR > Educational resources > Journal club
DynamicNuclear Polarization Enhanced NMR Spectroscopyfor Pharmaceutical Formulations

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

01-29-2014, 02:01 PM

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

DynamicNuclear Polarization Enhanced NMR Spectroscopyfor Pharmaceutical Formulations

DynamicNuclear Polarization Enhanced NMR Spectroscopyfor Pharmaceutical Formulations

Aaron J. Rossini, Cory M. Widdifield, Alexandre Zagdoun, Moreno Lelli, Martin Schwarzwa?lder, Christophe Cope?ret, Anne Lesage and Lyndon Emsley

Journal of the American Chemical Society
DOI: 10.1021/ja4092038

Source: Journal of the American Chemical Society

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Overhauser dynamic nuclear polarization-enhanced NMR relaxometry From The DNP-NMR Blog: Overhauser dynamic nuclear polarization-enhanced NMR relaxometry Franck, J.M., R. Kausik, and S. Han, Overhauser Dynamic Nuclear Polarization-Enhanced NMR Relaxometry. Microporous Mesoporous Mater, 2013. 178(0): p. 113-118. http://www.ncbi.nlm.nih.gov/pubmed/23837010	nmrlearner	News from NMR blogs	0	11-21-2013 01:14 AM
Dynamic Nuclear Polarization Enhanced NMR in the Solid-State From The DNP-NMR Blog: Dynamic Nuclear Polarization Enhanced NMR in the Solid-State Akbey, Ü., et al., Dynamic Nuclear Polarization Enhanced NMR in the Solid-State. 2013, Springer Berlin Heidelberg. p. 1-48. http://dx.doi.org/10.1007/128_2013_436	nmrlearner	News from NMR blogs	0	08-26-2013 08:46 PM
[NMR paper] Dynamic Nuclear Polarization Enhanced NMR in the Solid-State. Dynamic Nuclear Polarization Enhanced NMR in the Solid-State. Dynamic Nuclear Polarization Enhanced NMR in the Solid-State. Top Curr Chem. 2013 Jul 7; Authors: Akbey U, Franks WT, Linden A, Rydmark MO, Lange S, Oschkinat H Abstract Nuclear magnetic resonance (NMR) spectroscopy is one of the most commonly used spectroscopic techniques to obtain information on the structure and dynamics of biological and chemical materials. A variety of samples can be studied including solutions, crystalline solids, powders and hydrated protein...	nmrlearner	Journal club	0	07-09-2013 02:47 PM
[NMR images] The polarization value of enhanced signals, i.e. after ... http://tau.ep1.ruhr-uni-bochum.de/poltarg/target/nmr_setup.gif tau.ep1.ruhr-uni-bochum.de 18/06/2013 7:23:35 AM GMT The polarization value of enhanced signals, i.e. after ... More...	nmrlearner	NMR pictures	0	06-18-2013 07:21 AM
Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy From The DNP-NMR Blog: Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy Rossini, A.J., et al., Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy. Acc. Chem. Res., 2013. http://www.ncbi.nlm.nih.gov/pubmed/23517009	nmrlearner	News from NMR blogs	0	06-01-2013 12:38 AM
A Slowly Relaxing RigidBiradical for Efficient DynamicNuclear Polarization Surface-Enhanced NMR Spectroscopy: ExpeditiousCharacterization of Functional Group Manipulation in Hybrid Materials A Slowly Relaxing RigidBiradical for Efficient DynamicNuclear Polarization Surface-Enhanced NMR Spectroscopy: ExpeditiousCharacterization of Functional Group Manipulation in Hybrid Materials Alexandre Zagdoun, Gilles Casano, Olivier Ouari, Giuseppe Lapadula, Aaron J. Rossini, Moreno Lelli, Mathieu Baffert, David Gajan, Laurent Veyre, Werner E. Maas, Melanie Rosay, Ralph T. Weber, Chloe? Thieuleux, Christophe Coperet, Anne Lesage, Paul Tordo and Lyndon Emsley ...	nmrlearner	Journal club	0	01-18-2012 03:07 AM
[NMR paper] Polarization-enhanced NMR spectroscopy of biomolecules in frozen solution. Polarization-enhanced NMR spectroscopy of biomolecules in frozen solution. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--highwire.stanford.edu-icons-externalservices-pubmed-custom-sci_full_freeReg.gif Related Articles Polarization-enhanced NMR spectroscopy of biomolecules in frozen solution. Science. 1997 May 9;276(5314):930-2 Authors: Hall DA, Maus DC, Gerfen GJ, Inati SJ, Becerra LR, Dahlquist FW, Griffin RG Large dynamic nuclear polarization signal enhancements (up to a factor of 100) were obtained in the solid-state magic-angle...	nmrlearner	Journal club	0	08-22-2010 03:31 PM
[NMR paper] Polarization-enhanced NMR spectroscopy of biomolecules in frozen solution. Polarization-enhanced NMR spectroscopy of biomolecules in frozen solution. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--highwire.stanford.edu-icons-externalservices-pubmed-custom-sci_full_freeReg.gif Related Articles Polarization-enhanced NMR spectroscopy of biomolecules in frozen solution. Science. 1997 May 9;276(5314):930-2 Authors: Hall DA, Maus DC, Gerfen GJ, Inati SJ, Becerra LR, Dahlquist FW, Griffin RG Large dynamic nuclear polarization signal enhancements (up to a factor of 100) were obtained in the solid-state magic-angle...	nmrlearner	Journal club	0	08-22-2010 03:03 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