NMR paper The role of NMR-based circulating metabolic biomarkers in development and risk prediction of new onset type 2 diabetes

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[NMR paper] The role of NMR-based circulating metabolic biomarkers in development and risk prediction of new onset type 2 diabetes

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MDD

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Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

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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

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RCI

Interactions from chemical shifts:

HADDOCK

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FANDAS

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V-NMR

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Methyl S2

B-factor

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Amber

Antechamber

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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

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NMR sample preparation:

Protein disorder:

DisMeta

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Isotope labeling:

Solid-state NMR:

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09-08-2022, 08:07 PM

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The role of NMR-based circulating metabolic biomarkers in development and risk prediction of new onset type 2 diabetes

The role of NMR-based circulating metabolic biomarkers in development and risk prediction of new onset type 2 diabetes

Associations of circulating metabolic biomarkers with type 2 diabetes (T2D) and their added value for risk prediction are uncertain among Chinese adults. A case-cohort study included 882 T2D cases diagnosed during 8-years' follow-up and a subcohort of 789 participants. NMR-metabolomic profiling quantified 225 plasma biomarkers in stored samples taken at recruitment into the study. Cox regression yielded adjusted hazard ratios (HRs) for T2D associated with individual biomarkers, with a set of...

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