BioNMR
NMR aggregator & online community since 2003
BioNMR    
Learn or help to learn NMR - get free NMR books!
 

Go Back   BioNMR > Educational resources > Journal club
Advanced Search
Home Forums Wiki NMR feeds Downloads Register Today's Posts



Jobs Groups Conferences Literature Pulse sequences Software forums Programs Sample preps Web resources BioNMR issues


Webservers
NMR processing:
MDD
NMR assignment:
Backbone:
Autoassign
MARS
UNIO Match
PINE
Side-chains:
UNIO ATNOS-Ascan
NOEs:
UNIO ATNOS-Candid
UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
XPLOR-NIH
ASDP
UNIO ATNOS-Candid
UNIO Candid
Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
Amber
Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
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:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
RefDB
NMR model quality:
NOEs, other restraints:
PROSESS
PSVS
RPF scores
iCing
Chemical shifts:
PROSESS
CheShift2
Vasco
iCing
RDCs:
DC
Anisofit
Pseudocontact shifts:
Anisofit
Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
Prosa
ProQ
MetaMQAPII
PSQS
Eval123D
STAN
Ramachandran Plot
Rampage
ERRAT
Verify_3D
Harmony
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:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
sedNMR


Reply
 
Thread Tools Search this Thread Rate Thread Display Modes
  #1  
Old 05-16-2011, 08:23 PM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 23,697
Points: 193,617, Level: 100
Points: 193,617, Level: 100 Points: 193,617, Level: 100 Points: 193,617, Level: 100
Level up: 0%, 0 Points needed
Level up: 0% Level up: 0% Level up: 0%
Activity: 50.7%
Activity: 50.7% Activity: 50.7% Activity: 50.7%
Last Achievements
Award-Showcase
NMR Credits: 0
NMR Points: 193,617
Downloads: 0
Uploads: 0
Default High-Pressure in Situ 129Xe NMR Spectroscopy and Computer Simulations of Breathing Transitions in the Metal–Organic Framework Ni2(2,6-ndc)2(dabco) (DUT-8(Ni))

High-Pressure in Situ 129Xe NMR Spectroscopy and Computer Simulations of Breathing Transitions in the Metal–Organic Framework Ni2(2,6-ndc)2(dabco) (DUT-8(Ni))

Herbert C. Hoffmann, Bassem Assfour, Fanny Epperlein, Nicole Klein, Silvia Paasch, Irena Senkovska, Stefan Kaskel, Gotthard Seifert and Eike Brunner



Journal of the American Chemical Society
DOI: 10.1021/ja201951t




Source: Journal of the American Chemical Society
Reply With Quote


Did you find this post helpful? Yes | No

Reply
Similar Threads
Thread Thread Starter Forum Replies Last Post
[Question from NMRWiki Q&A forum] High Pressure NMR Samples
High Pressure NMR Samples I need to run NMR on samples of anhydrous ammonia. The boiling point of anhydrous ammonia is -33.34 deg C. In order to be able to have enough time to acquire spectra, I would like to seal the NMR tubes. Once the sample tubes are sealed, the ammonia will build up pressure until it reaches equilibrium and exists as a liquid at room temperature (at approximately 10 atm of pressure). I know NMR tubes exist which can easily withstand these sorts of pressures, but my main problem is in finding a way to seal the tube. I have tried sealing the tubes by melting the...
nmrlearner News from other NMR forums 0 02-23-2012 09:08 PM
High-Resolution 39K NMR Spectroscopy of Bio-organic Solids
High-Resolution 39K NMR Spectroscopy of Bio-organic Solids Gang Wu, Zhehong Gan, Irene C. M. Kwan, James C. Fettinger and Jeffery T. Davis http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja2052446/aop/images/medium/ja-2011-052446_0001.gif Journal of the American Chemical Society DOI: 10.1021/ja2052446 http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/udYj13RsOzQ
nmrlearner Journal club 0 08-13-2011 02:47 AM
NMR studies of alkali metal ions in organic and biological solids
NMR studies of alkali metal ions in organic and biological solids Publication year: 2011 Source: Progress in Nuclear Magnetic Resonance Spectroscopy, In Press, Accepted Manuscript, Available online 13 June 2011</br> Gang, Wu , Jianfeng, Zhu</br> *Highlights:*? Comprehensive review of NMR of alkali metal ions in organic/biological solids ? Experimental solid-state NMR techniques and computational methods ? Survey of experimental alkali metal NMR data for organic/biological solids</br></br> More...
nmrlearner Journal club 0 06-14-2011 02:30 AM
[NMR paper] Structural investigation of pig metmyoglobin by 129Xe NMR spectroscopy.
Structural investigation of pig metmyoglobin by 129Xe NMR spectroscopy. Related Articles Structural investigation of pig metmyoglobin by 129Xe NMR spectroscopy. Biochim Biophys Acta. 2004 Sep 24;1674(2):182-92 Authors: Corda M, Era B, Fais A, Casu M The potentiality of xenon's sensitivity to its local magnetic environment is thoroughly investigated to probe internal structural differences between pig and horse metmyoglobin (MMb). These MMb's differ by 14 amino acids. One of these, Ile142 in horse MMb, is located in the proximal cavity, which...
nmrlearner Journal club 0 11-24-2010 10:01 PM
[NMR paper] High-pressure NMR spectroscopy for characterizing folding intermediates and denatured
High-pressure NMR spectroscopy for characterizing folding intermediates and denatured states of proteins. Related Articles High-pressure NMR spectroscopy for characterizing folding intermediates and denatured states of proteins. Methods. 2004 Sep;34(1):133-43 Authors: Kamatari YO, Kitahara R, Yamada H, Yokoyama S, Akasaka K Extensive structural studies using high-pressure NMR spectroscopy have recently been carried out on proteins, which potentially contribute to our understanding of the mechanisms of protein folding. Pressure shifts the...
nmrlearner Journal club 0 11-24-2010 10:01 PM
[NMR paper] High pressure NMR study of a small protein, gurmarin.
High pressure NMR study of a small protein, gurmarin. Related Articles High pressure NMR study of a small protein, gurmarin. J Biomol NMR. 1998 Nov;12(4):535-41 Authors: Inoue K, Yamada H, Imoto T, Akasaka K The effect of pressure on the structure of gurmarin, a globular, 35-residue protein from Gymnema sylvestre, was studied in aqueous environment (95% 1H2O/5% 2H2O, pH 2.0) with an on-line variable pressure NMR system operating at 750 MHz. Two-dimensional TOCSY and NOESY spectra were measured as functions of pressure between 1 and 2000 bar at...
nmrlearner Journal club 0 11-17-2010 11:15 PM
[NMR images] High pressure NMR spectroscopy
http://www.biologie.uni-regensburg.de/Biophysik/Kalbitzer/c2c/Grafik/pArnold_1.jpg biologie.uni-regensburg.de 1/11/2010 8:48:44 AM GMT High pressure NMR spectroscopy More...
nmrlearner NMR pictures 0 11-01-2010 09:23 AM
[NMR paper] Use of 1H NMR spectroscopy and computer simulations To analyze histidine pKa changes
Use of 1H NMR spectroscopy and computer simulations To analyze histidine pKa changes in a protein tyrosine phosphatase: experimental and theoretical determination of electrostatic properties in a small protein. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-acspubs.jpg Related Articles Use of 1H NMR spectroscopy and computer simulations To analyze histidine pKa changes in a protein tyrosine phosphatase: experimental and theoretical determination of electrostatic properties in a small protein. Biochemistry. 1997 Sep 30;36(39):11984-94 ...
nmrlearner Journal club 0 08-22-2010 05:08 PM



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



BioNMR advertisements to pay for website hosting and domain registration. Nobody does it for us.



Powered by vBulletin® Version 3.7.3
Copyright ©2000 - 2024, Jelsoft Enterprises Ltd.
Copyright, BioNMR.com, 2003-2013
Search Engine Friendly URLs by vBSEO 3.6.0

All times are GMT. The time now is 11:22 AM.


Map