NMR paper NMR lineshape analysis*using analytical solutions of multi-state chemical exchange with applications to kinetics of host-guest systems

		BioNMR > Educational resources > Journal club
*[NMR paper] NMR lineshape analysisusing analytical solutions of multi-state chemical exchange with applications to kinetics of host-guest systems**

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

10-19-2022, 03:14 AM

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

NMR lineshape analysis*using analytical solutions of multi-state chemical exchange with applications to kinetics of host-guest systems

NMR lineshape analysis*using analytical solutions of multi-state chemical exchange with applications to kinetics of host-guest systems

Nuclear magnetic resonance (NMR) lineshape analysis is a powerful tool for the study of chemical kinetics. Here we provide techniques for analysis of the relationship between experimentally observed spin kinetics (transitions between different environments [Formula: see text]) and corresponding chemical kinetics (transitions between distinct chemical species; e.g., free host and complexed host molecule). The advantages of using analytical solutions for two-, three- or generally N-state exchange...

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[NMR paper] NmrLineGuru: Standalone and User-Friendly GUIs for Fast 1D NMR Lineshape Simulation and Analysis of Multi-State Equilibrium Binding Models. NmrLineGuru: Standalone and User-Friendly GUIs for Fast 1D NMR Lineshape Simulation and Analysis of Multi-State Equilibrium Binding Models. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/https:--www.nature.com-images-npg_logo.gif http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.nature.com-images-lo_npg.gif http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/https:--www.ncbi.nlm.nih.gov-corehtml-pmc-pmcgifs-pubmed-pmc.png Related Articles NmrLineGuru: Standalone and User-Friendly GUIs for Fast 1D NMR Lineshape Simulation and...	nmrlearner	Journal club	0	11-04-2020 05:04 PM
Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy From The DNP-NMR Blog: Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy Guo, Z., et al., Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy. Chemistry, 2014: p. n/a-n/a. http://www.ncbi.nlm.nih.gov/pubmed/25297002	nmrlearner	News from NMR blogs	0	10-23-2014 05:11 AM
Host-Guest Complexes as Water-Soluble High-Performance DNP Polarizing Agents From The DNP-NMR Blog: Host-Guest Complexes as Water-Soluble High-Performance DNP Polarizing Agents Mao, J., et al., Host-Guest Complexes as Water-Soluble High-Performance DNP Polarizing Agents. J Am Chem Soc, 2013. 135(51): p. 19275-81. http://www.ncbi.nlm.nih.gov/pubmed/24279469	nmrlearner	News from NMR blogs	0	01-10-2014 06:01 PM
[Question from NMRWiki Q&A forum] Software to calculate chemical exchange lineshape Software to calculate chemical exchange lineshape Are there any modern programs (preferably freeware) that will simulate line broadening in the presence of exchange. Somewhere I have a copy of "DNMR3" (on a 5 1/4 " floppy) and I feel it will be a nightmare trying to get this to work (particularly the graphics output). Check if somebody has answered this question on NMRWiki QA forum	nmrlearner	News from other NMR forums	0	04-10-2013 07:05 AM
Chemistry and Structureof a Host–Guest Relationship:The Power of NMR and X-ray Diffraction in Tandem Chemistry and Structureof a Host–Guest Relationship:The Power of NMR and X-ray Diffraction in Tandem Qi-Qiang Wang, Victor W. Day and Kristin Bowman-James http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja3096762/aop/images/medium/ja-2012-096762_0013.gif Journal of the American Chemical Society DOI: 10.1021/ja3096762 http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/Ze2zN3_VFiU	nmrlearner	Journal club	0	12-20-2012 04:48 PM
1H NMR Chemical Shift Calculations as a Probe of Supramolecular Host–Guest Geometry 1H NMR Chemical Shift Calculations as a Probe of Supramolecular Host–Guest Geometry Jeffrey S. Mugridge, Robert G. Bergman and Kenneth N. Raymond http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja202254x/aop/images/medium/ja-2011-02254x_0010.gif Journal of the American Chemical Society DOI: 10.1021/ja202254x http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/wR-1b5WtJhc	nmrlearner	Journal club	0	06-30-2011 05:01 AM
[NMR paper] An NMR method for studying the kinetics of metal exchange in biomolecular systems. An NMR method for studying the kinetics of metal exchange in biomolecular systems. Related Articles An NMR method for studying the kinetics of metal exchange in biomolecular systems. J Biomol NMR. 2002 Aug;23(4):303-9 Authors: Barbieri R, Hore PJ, Luchina C, Pierattelli R The kinetics of lanthanide (III) exchange for calcium(II) in the C-terminal EF-hand of the protein calbindin D9k have been studied by one-dimensional (1D) stopped-flow NMR. By choosing a paramagnetic lanthanide (Ce3+), kinetics in the sub-second range can be easily measured....	nmrlearner	Journal club	0	11-24-2010 08:58 PM
Programs for simulation of lineshape change due to chemical exchange http://www.shokhirev.com/nikolai/abc/nmrtut/ik1.gif 1) A simple web server for prediction of effect of chemical exchange on NMR lineshapes can be found here. 2) TwoLineNMR and TwoSiteExchange 3) MEXICO from Alex Bain group.	nmrlearner	NMR software	1	06-04-2009 05:54 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