[ASAP] Ultrafast Fragment Screening Using Photo-Hyperpolarized (CIDNP) NMR

		BioNMR > Educational resources > Journal club
[ASAP] Ultrafast Fragment Screening Using Photo-Hyperpolarized (CIDNP) NMR

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

05-26-2023, 06:32 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

[ASAP] Ultrafast Fragment Screening Using Photo-Hyperpolarized (CIDNP) NMR

[ASAP] Ultrafast Fragment Screening Using Photo-Hyperpolarized (CIDNP) NMR

Felix Torres, Matthias Bu?tikofer, Gabriela R. Stadler, Alois Renn, Harindranath Kadavath, Raitis Bobrovs, Kristaps Jaudzems, and Roland Riek

Journal of the American Chemical Society
DOI: 10.1021/jacs.3c01392

Source: Journal of the American Chemical Society

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[ASAP] Selective Isotope Labeling and LC-Photo-CIDNP Enable NMR Spectroscopy at Low-Nanomolar Concentration Selective Isotope Labeling and LC-Photo-CIDNP Enable NMR Spectroscopy at Low-Nanomolar Concentration Hanming Yang, Siyu Li, Clayton A. Mickles, Valeria Guzman-Luna, Kenji Sugisaki, Clayton M. Thompson, Hung H. Dang, and Silvia Cavagnero https://pubs.acs.org/cms/10.1021/jacs.2c01809/asset/images/medium/ja2c01809_0009.gif Journal of the American Chemical Society DOI: 10.1021/jacs.2c01809	nmrlearner	Journal club	0	06-17-2022 08:24 AM
[NMR paper] Photo-CIDNP NMR Spectroscopy of Amino Acids and Proteins. Photo-CIDNP NMR Spectroscopy of Amino Acids and Proteins. Related Articles Photo-CIDNP NMR Spectroscopy of Amino Acids and Proteins. Top Curr Chem. 2013 May 14; Authors: Kuhn LT Abstract Photo-chemically induced dynamic nuclear polarization (CIDNP) is a nuclear magnetic resonance (NMR) phenomenon which, among other things, is exploited to extract information on biomolecular structure via probing solvent-accessibilities of tryptophan (Trp), tyrosine (Tyr), and histidine (His) amino acid side chains both in polypeptides and proteins in...	nmrlearner	Journal club	0	05-15-2013 03:12 PM
(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] Photo-CIDNP NMR spectroscopy of a heme-containing protein. Photo-CIDNP NMR spectroscopy of a heme-containing protein. Related Articles Photo-CIDNP NMR spectroscopy of a heme-containing protein. J Magn Reson. 2005 Aug;175(2):330-5 Authors: Day IJ, Wain R, Tozawa K, Smith LJ, Hore PJ There are relatively few examples of the application of photo-CIDNP NMR spectroscopy to chromophore-containing proteins. The most likely reason for this is that simultaneous absorption of light by the photosensitiser molecule and the protein chromophore reduces the effectiveness of the photochemical reaction that produces...	nmrlearner	Journal club	0	12-01-2010 06:56 PM
[NMR paper] Photo-CIDNP NMR methods for studying protein folding. Photo-CIDNP NMR methods for studying protein folding. Related Articles Photo-CIDNP NMR methods for studying protein folding. Methods. 2004 Sep;34(1):75-87 Authors: Mok KH, Hore PJ Chemically induced dynamic nuclear polarization (CIDNP) is a nuclear magnetic resonance phenomenon that can be used to probe the solvent-accessibility of tryptophan, tyrosine, and histidine residues in proteins by means of laser-induced photochemical reactions, resulting in significant enhancement of NMR signals. CIDNP offers good sensitivity as a surface probe of...	nmrlearner	Journal club	0	11-24-2010 10:01 PM
[NMR paper] Carbohydrate-protein interaction studies by laser photo CIDNP NMR methods. Carbohydrate-protein interaction studies by laser photo CIDNP NMR methods. Related Articles Carbohydrate-protein interaction studies by laser photo CIDNP NMR methods. Glycoconj J. 1997 Jun;14(4):531-4 Authors: Siebert HC, Kaptein R, Beintema JJ, Soedjanaatmadja UM, Wright CS, Rice A, Kleineidam RG, Kruse S, Schauer R, Pouwels PJ, Kamerling JP, Gabius HJ, Vliegenthart JF The side chains of tyrosine, tryptophan and histidine are able to produce CIDNP (Chemically Induced Dynamic Nuclear Polarization) signals after laser irradiation in the...	nmrlearner	Journal club	0	08-22-2010 03:31 PM
[NMR paper] Carbohydrate-protein interaction studies by laser photo CIDNP NMR methods. Carbohydrate-protein interaction studies by laser photo CIDNP NMR methods. Related Articles Carbohydrate-protein interaction studies by laser photo CIDNP NMR methods. Glycoconj J. 1997 Jun;14(4):531-4 Authors: Siebert HC, Kaptein R, Beintema JJ, Soedjanaatmadja UM, Wright CS, Rice A, Kleineidam RG, Kruse S, Schauer R, Pouwels PJ, Kamerling JP, Gabius HJ, Vliegenthart JF The side chains of tyrosine, tryptophan and histidine are able to produce CIDNP (Chemically Induced Dynamic Nuclear Polarization) signals after laser irradiation in the...	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