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Side-chains:
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Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
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Fragment-based:
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Template-based:
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Refinement:
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Fragment-based:
WeNMR CS-Rosetta
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Homology-based:
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Secondary structure from chemical shifts:
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PECAN
Flexibility from chemical shifts:
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From structure:
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CH3shift- Methyl
ArShift- Aromatic
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Proshift
PPM
CheShift-2- Cα
From sequence:
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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:
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Old 03-13-2018, 07:39 PM
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Default NMR spectroscopy-based metabolomic study of serum in sulfur mustard exposed patients with lung disease.

NMR spectroscopy-based metabolomic study of serum in sulfur mustard exposed patients with lung disease.

Related Articles NMR spectroscopy-based metabolomic study of serum in sulfur mustard exposed patients with lung disease.

Biomarkers. 2017 Jul;22(5):413-419

Authors: Nobakht BF, Arefi Oskouie A, Rezaei-Tavirani M, Aliannejad R, Taheri S, Fathi F, Taghi Naseri M

Abstract
Sulfur mustard (SM) is a vesication chemical warfare agent for which there is currently no antidote. Despite years of research, there is no common consensus about the pathophysiological basis of chronic pulmonary disease caused by this chemical warfare agent. In this study, we combined chemometric techniques with nuclear magnetic resonance (NMR) spectroscopy to explore the metabolic profile of sera from SM-exposed patients. A total of 29 serum samples obtained from 17 SM-injured patients, and 12 healthy controls were analyzed by Random Forest. Increased concentrations of seven amino acids, glycerol, dimethylamine, ketone bodies, lactate, acetate, citrulline and creatine together with the decreased very low-density lipoproteins (VLDL) levels were observed in patients compared with control subjects. Our study reveals the metabolic profile of sera from SM-injured patients and indicates that NMR-based methods can distinguish these patients from healthy controls.


PMID: 27319271 [PubMed - indexed for MEDLINE]



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