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

Go Back   BioNMR > NMR community > News from NMR blogs
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 08-22-2010, 02:30 AM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 23,715
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 Magnetic Resonance in Chemistry: computational issue

Magnetic Resonance in Chemistry: computational issue


Magnetic Resonance in Chemistry is putting together a special issue on "the Quantum-Chemical Calculations and their applications". Many papers from this issue, including several invited papers from Canadian groups, are already available online (Early View).

D.H. Brouwer, I.L. Moudrakovski, R.J. Darton, R.E. Morris, "Comparing quantum chemical calculation methods for structural investigation of zeolite crystal structures by solid-state NMR spectroscopy", Magnetic Resonance in Chemistry (2010) online. (Invited Article, Special Issue) http://dx.doi.org/10.1002/mrc.2642

D.L. Bryce, "A computational investigation of J couplings involving 27Al, 17O, and 31P," Magnetic Resonance in Chemistry (2010) online. (Invited Article, Special Issue) http://dx.doi.org/10.1002/mrc.2630



Read complete story on NMR900 blog
Reply With Quote


Did you find this post helpful? Yes | No

Reply
Similar Threads
Thread Thread Starter Forum Replies Last Post
[NMR900 blog] Special issue of the Journal of Magnetic Resonance
Special issue of the Journal of Magnetic Resonance Volume 213, Issue 2, Pages 213-574 (December 2011) Magnetic Moments, Groundbreaking papers from the pages of the Journal of Magnetic Resonance - and recollections from the scientists behind them. http://www.sciencedirect.com/science/journal/10907807/213/2 To celebrate the 2011 International Year of Chemistry JMR has assembled a collection of reprints of some of the most significant papers published in the journal since its inception over 40 years ago. These reprints are accompanied by video/audio commentaries by their authors...
nmrlearner News from NMR blogs 0 12-11-2011 07:57 AM
[NMR900 blog] Canadian Journal of Chemistry, Special Issue Dedicated to Professor R.E. Wasylishen
Canadian Journal of Chemistry, Special Issue Dedicated to Professor R.E. Wasylishen Canadian Journal of Chemistry, Volume 89 , Number 7 (2011) (part 1 of 2) http://www.nrcresearchpress.com/toc/cjc/89/7 David Bryce, Gang Wu, Yining Huang, "Tribute: Professor Roderick E. Wasylishen," Canadian Journal of Chemistry 89 (2011) xi-xvi. (Special Issue) http://dx.doi.org/10.1139/v11-067 https://blogger.googleusercontent.com/tracker/8663203727601106205-1824455990186063595?l=nmr900.blogspot.com
nmrlearner News from NMR blogs 0 08-06-2011 01:27 AM
[NMR900 blog] Special Issue of Solid State Nuclear Magnetic Resonance
Special Issue of Solid State Nuclear Magnetic Resonance Solid-State NMR of Materials for Energy Storage and Conversion Dear Friends and Colleagues, Profs. Eckert and Klinowski have asked us to edit a special issue of Solid State NMR, with a focus in the area of NMR as applied to Materials for Energy Storage and Conversion. To this end, we would like to invite you to submit a manuscript for this special issue. Topics should include recent results on the development and use of solid-state NMR strategies for the characterization of energy materials, for example materials for use in lithium...
nmrlearner News from NMR blogs 0 04-15-2011 01:40 AM
[NMR tweet] Special Issue of Solid State Nuclear Magnetic Resonance http://nmr900.ca/nmr_news.html#ssnmr
Special Issue of Solid State Nuclear Magnetic Resonance http://nmr900.ca/nmr_news.html#ssnmr Published by nmr900 (Victor Terskikh) on 2011-04-14T21:20:42Z Source: Twitter
nmrlearner Twitter NMR 0 04-14-2011 09:56 PM
[NMR900 blog] Magnetic Resonance in Chemistry: a computational issue
Magnetic Resonance in Chemistry: a computational issue A special issue of Magnetic Resonance in Chemistry on Quantum-Chemical Computations of Magnetic Resonance Parameters (2010, volume 48, issue S1) has been finalized and is now available online. Canadian contributions E.S. Kadantsev and T. Ziegler, "First-principles calculation of parameters of electron paramagnetic resonance spectroscopy in solids", Magnetic Resonance in Chemistry 48 (2010) S2-S10. http://dx.doi.org/10.1002/mrc.2655 D.L. Bryce "A computational investigation of J couplings involving 27Al, 17O, and 31P," Magnetic...
nmrlearner News from NMR blogs 0 11-22-2010 07:08 PM
[NMR900 blog] Special Issue of the Canadian Journal of Chemistry honouring Rod Wasylishen
Special Issue of the Canadian Journal of Chemistry honouring Rod Wasylishen The Canadian Journal of Chemistry, the Canadian Society for Chemistry's principal medium for publication of research, is preparing a special issue to honour the career contributions of Professor Roderick E. Wasylishen, Canada Research Chair in Physical Chemistry at the University of Alberta. The issue is scheduled to be published in July 2011. Rod continues to have enormous impact on the field of NMR spectroscopy in Canada and worldwide. He has won numerous awards including the Gerhard Herzberg Award from the...
nmrlearner News from NMR blogs 0 08-22-2010 02:30 AM
[NMR900 blog] Magnetic Resonance in Chemistry: computational issue
Magnetic Resonance in Chemistry: computational issue Magnetic Resonance in Chemistry is putting together a special issue on "the Quantum-Chemical Calculations and their applications". Many papers from this issue, including several invited papers from Canadian groups, are already available online (Early View). D.H. Brouwer, I.L. Moudrakovski, R.J. Darton, R.E. Morris, "Comparing quantum chemical calculation methods for structural investigation of zeolite crystal structures by solid-state NMR spectroscopy", Magnetic Resonance in Chemistry (2010) online. (Invited Article, Special Issue)...
nmrlearner News from NMR blogs 0 08-22-2010 02:18 AM
[NMR900 blog] Special Issue of the Canadian Journal of Chemistry honouring Rod Wasylishen
Special Issue of the Canadian Journal of Chemistry honouring Rod Wasylishen The Canadian Journal of Chemistry, the Canadian Society for Chemistry's principal medium for publication of research, is preparing a special issue to honour the career contributions of Professor Roderick E. Wasylishen, Canada Research Chair in Physical Chemistry at the University of Alberta. The issue is scheduled to be published in July 2011. Rod continues to have enormous impact on the field of NMR spectroscopy in Canada and worldwide. He has won numerous awards including the Gerhard Herzberg Award from the...
nmrlearner News from NMR blogs 0 08-22-2010 02:18 AM



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



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 06:20 AM.


Map