NMR thesis I. Quantum-mechanical chemical exchange. II. NMR of semiconductors

		BioNMR > Educational resources > NMR theses
[NMR thesis] I. Quantum-mechanical chemical exchange. II. NMR of semiconductors

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

09-02-2011, 07:31 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

I. Quantum-mechanical chemical exchange. II. NMR of semiconductors

I. Quantum-mechanical chemical exchange. II. NMR of semiconductors

Kurur, Narayanan Damodaran (1992) I. Quantum-mechanical chemical exchange. II. NMR of semiconductors. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechT...2011-090934651

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[Question from NMRWiki Q&A forum] Chemical exchange of Tyr residues - what information can be found about dynamics? Chemical exchange of Tyr residues - what information can be found about dynamics? I have an aromatic spectrum of Tyr residues in p53 DNA binding domain. No peaks are seen for Tyr-205 at high temp, but as temp decreases 4 peaks are shown. Tyr-163 and Tyr-236 show two peak each at high temps. How come there aren't 4 peaks? The dynamic processes are said to occur on different time scales. What is the interpretation of this information? How is the core domain of p53 influenced by this? Thanks for your help! Check if somebody has answered this question on NMRWiki QA forum	nmrlearner	News from other NMR forums	0	04-11-2011 12:48 AM
TROSY-selected ZZ-exchange experiment for characterizing slow chemical exchange in large proteins TROSY-selected ZZ-exchange experiment for characterizing slow chemical exchange in large proteins Abstract A TROSY-selected ZZ-exchange experiment is described for measuring slow chemical exchange rates by monitoring the TROSY component of 15N longitudinal magnetization. Application of the proposed pulse sequence to the cadherin 8 N-terminal extracelluar domain demonstrates that enhanced sensitivity is obtained, compared to a previously described TROSY-detected ZZ-exchange sequence (Sahu et al. J Am Chem Soc 129: 13232â??13237, 2007), by preserving the TROSY effect during the mixing...	nmrlearner	Journal club	0	01-09-2011 12:46 PM
[NMR paper] NMR structure determination of proteins supplemented by quantum chemical calculations NMR structure determination of proteins supplemented by quantum chemical calculations: detailed structure of the Ca2+ sites in the EGF34 fragment of protein S. Related Articles NMR structure determination of proteins supplemented by quantum chemical calculations: detailed structure of the Ca2+ sites in the EGF34 fragment of protein S. J Biomol NMR. 2005 Feb;31(2):97-114 Authors: Hsiao YW, Drakenberg T, Ryde U We present and test two methods to use quantum chemical calculations to improve standard protein structure refinement by molecular...	nmrlearner	Journal club	0	11-24-2010 11:14 PM
[NMR paper] 13C Magic angle spinning NMR analysis and quantum chemical modeling of the bathochrom 13C Magic angle spinning NMR analysis and quantum chemical modeling of the bathochromic shift of astaxanthin in alpha-crustacyanin, the blue carotenoprotein complex in the carapace of the lobster Homarus gammarus. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-acspubs.jpg Related Articles 13C Magic angle spinning NMR analysis and quantum chemical modeling of the bathochromic shift of astaxanthin in alpha-crustacyanin, the blue carotenoprotein complex in the carapace of the lobster Homarus gammarus. Biochemistry. 1997 Jun 17;36(24):7288-96...	nmrlearner	Journal club	0	08-22-2010 03:31 PM
[NMR paper] 13C Magic angle spinning NMR analysis and quantum chemical modeling of the bathochrom 13C Magic angle spinning NMR analysis and quantum chemical modeling of the bathochromic shift of astaxanthin in alpha-crustacyanin, the blue carotenoprotein complex in the carapace of the lobster Homarus gammarus. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-acspubs.jpg Related Articles 13C Magic angle spinning NMR analysis and quantum chemical modeling of the bathochromic shift of astaxanthin in alpha-crustacyanin, the blue carotenoprotein complex in the carapace of the lobster Homarus gammarus. Biochemistry. 1997 Jun 17;36(24):7288-96...	nmrlearner	Journal club	0	08-22-2010 03:03 PM
[NMRwiki tweet] nmrwiki: Download HZQC #NMR pulse sequence for Chemical Exchange http://nmrwiki.org/w nmrwiki: Download HZQC #NMR pulse sequence for Chemical Exchange http://nmrwiki.org/wiki/index.php?title=HZQC/HDQC_for_Bruker_(hdqc_Zex.rp) nmrwiki: Download HZQC #NMR pulse sequence for Chemical Exchange http://nmrwiki.org/wiki/index.php?title=HZQC/HDQC_for_Bruker_(hdqc_Zex.rp) Source: NMRWiki tweets	nmrlearner	Twitter NMR	0	08-22-2010 01:49 AM
[NMR paper] Editing of chemical exchange-relayed NOEs in NMR experiments for the observation of p Editing of chemical exchange-relayed NOEs in NMR experiments for the observation of protein-water interactions. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Editing of chemical exchange-relayed NOEs in NMR experiments for the observation of protein-water interactions. J Magn Reson. 1999 Feb;136(2):214-8 Authors: Melacini G, Kaptein R, Boelens R An experimental approach for the editing of exchange-relayed NOEs in water-selective NOE experiments is presented. The...	nmrlearner	Journal club	0	08-21-2010 04:03 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 Off Trackbacks are Off Pingbacks are Off Refbacks are Off