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 09-27-2012, 03:39 AM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 23,777
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 Human Metabolome Database (HMDB) Version 3.0

Human Metabolome Database (HMDB) Version 3.0

The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. It is intended to be used for applications in metabolomics, clinical chemistry, biomarker discovery and general education.

HMDB is supported byDavid Wishart, Departments of Computing Science & Biological Sciences, University of Alberta. HMDB is also supported bythe Metabolomics Innovation Centre, a Genome Canada-funded core facility serving the scientific community and industry with world-class expertise and cutting-edge technologies in metabolomics. Funding is provided byGenome AlbertaandGenome Canada, a not-for-profit organization that is leading Canada's national genomics strategy with $600 million in funding from the federal government.


Just announcedversion 3.0 of the HMDBhas been significantly expanded and enhanced over the 2009 release (version 2.0). In particular, the number of annotated metabolite entries has grown from 6500 to more than37,166. This enormous expansion is a result of the inclusion of both “Confirmed” metabolites (those with measured concentrations or experimental confirmation of their existence) and “Expected” metabolites (those for which biochemical pathways are known or human intake/exposure is frequent but the compound has yet to be detected in the body). The latest release also has greatly increased the number of metabolites with biofluid or tissue concentration data, the number of compounds with reference spectra and the number of data fields per entry. In addition to this expansion in data quantity, new database visualization tools and new data content has been added or enhanced. These include better spectral viewing tools, more powerful chemical substructure searches, an improved chemical taxonomy and better, more interactive pathway maps. Among other database functions, NMR Searchallows users to submit peak lists from 1H or 13C NMR spectra (both pure and mixtures) and to have these peak lists compared to the NMR libraries contained in the HMDB. This allows the identification of metabolites from mixtures via NMR spectroscopy.

For more information visithttp://www.hmdb.ca/



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
[CNS Yahoo group] Update news for SHIFTX2 version 1.07
Update news for SHIFTX2 version 1.07 SHIFTX2 (Protein chemical shift prediction program) version 1.07 is released at Jan 04, 2012. It is updated its prediction models for the backbone and some More...
nmrlearner News from other NMR forums 0 01-11-2012 04:03 AM
[NMR Sparky Yahoo group] Processing 2D version of 4D 15N,15N-hsqcnoesyhsqc
Processing 2D version of 4D 15N,15N-hsqcnoesyhsqc Hello I am having problem processing a 2D version (both proton dimension) of a 4D 15N,15N-hsqcnoesyhsqc experiment obtained on varian600. When I tried to More...
nmrlearner News from other NMR forums 0 05-25-2011 10:22 PM
[NMR900 blog] The Human Serum Metabolome
The Human Serum Metabolome N. Psychogios, D.D. Hau, J. Peng, A.C. Guo, R. Mandal, S. Bouatra, I. Sinelnikov, R. Krishnamurthy, R. Eisner, B. Gautam, N. Young, J. Xia, C. Knox, E. Dong, P. Huang, Z. Hollander, T.L. Pedersen, S.R. Smith, F. Bamforth, R. Greiner, B. McManus, J.W. Newman, T. Goodfriend, D.S. Wishart, "The Human Serum Metabolome," PLoS ONE 6 (2011) e16957. (open access article) http://dx.doi.org/10.1371/journal.pone.0016957 Abstract: Continuing improvements in analytical technology along with an increased interest in performing comprehensive, quantitative metabolic...
nmrlearner News from NMR blogs 0 02-17-2011 09:44 PM
[NMR tweet] Maven Semantic: Nuclear Magnetic Resonance Database: The new database is now available to marketing, business development, competitor...
Maven Semantic: Nuclear Magnetic Resonance Database: The new database is now available to marketing, business development, competitor... Published by Cheryl_Gates (Cheryl Gates) on 2011-01-18T14:33:38Z Source: Twitter
nmrlearner Twitter NMR 0 01-18-2011 03:01 PM
[NMRpipe Yahoo group] New Server-Based version of TALOS+
New Server-Based version of TALOS+ Greetings, Fellow Pipers Most Dear ... Many of you will be familiar with the TALOS program, which predicts protein phi and psi torsions from backbone chemical More...
NMRpipe Yahoo group news News from other NMR forums 0 11-30-2010 08:11 AM
[NMR paper] Structural genomics and the metabolome: combining computational and NMR methods to id
Structural genomics and the metabolome: combining computational and NMR methods to identify target ligands. Related Articles Structural genomics and the metabolome: combining computational and NMR methods to identify target ligands. Curr Opin Drug Discov Devel. 2004 Jan;7(1):62-8 Authors: Parsons L, Orban J One of the goals of structural genomics is to use three-dimensional structures to gain insights into the function of poorly understood or hypothetical proteins. Approximate functions are often apparent from the protein fold, but more...
nmrlearner Journal club 0 11-24-2010 09:25 PM
[BMNRC community] NMR guide version 3.5
NMR guide version 3.5 http://rmn.iqfr.csic.es/guide From : INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO Departamento de Química Física Biológica
nmrlearner News from other NMR forums 0 08-26-2010 06:37 AM
[CNS Yahoo group] Announcing CNS, version 1.3
Announcing CNS, version 1.3 ================================================================== Announcing version 1.3 (general release) of the software: Crystallography & NMR System (CNS) More...
nmrlearner News from other NMR forums 0 08-21-2010 03:26 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 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 07:32 PM.


Map