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NMR processing:
MDD
NMR assignment:
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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:
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RPF scores
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Chemical shifts:
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Vasco
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RDCs:
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Pseudocontact shifts:
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SAVES2 or SAVES4
Vadar
Prosa
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MetaMQAPII
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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:
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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


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Default NASR, An Effective Approach for Simultaneous Noise and Artifact Suppression in NMR Spectroscopy.

NASR, An Effective Approach for Simultaneous Noise and Artifact Suppression in NMR Spectroscopy.

Related Articles NASR, An Effective Approach for Simultaneous Noise and Artifact Suppression in NMR Spectroscopy.

Anal Chem. 2013 Jan 22;

Authors: Jiang B, Luo F, Ding Y, Sun P, Zhang X, Jiang L, Li C, Mao XA, Yang D, Tang C, Liu M

Abstract
As a powerful tool for biological analysis, especially protein structure and dynamic studies, nuclear magnetic resonance (NMR) spectroscopy suffers from intrinsic low signal to nose ratio (SNR) and long acquisition time required for multidimensional (nD) experiments. Non-uniform sampling (NUS) can effectively speed up the experiment, but often introduces artifacts into spectrum. In addition to development of high sensitive hardwares and NMR pulse sequences, data post-processing is a relative simple and cost-effective method to improve the SNR and suppress the artifacts. In this work, we proposed an effective approach for simultaneously suppressing noise and artifacts based on the resampling principle The method is named NASR for short and tested using one-, two- and three-dimensional (1D, 2D & 3D) NMR spectra that were acquired using ether conventional or NUS (spiral and random, for 3D) approaches. The results reveal that the NASR is fast and applicable for improving the quality of 1D to nD NMR spectra with all kind of sampling schemes.


PMID: 23339579 [PubMed - as supplied by publisher]



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