Dissolution Dynamic Nuclear Polarization Methodology and Instrumentation #DNPNMR

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Dissolution Dynamic Nuclear Polarization Methodology and Instrumentation #DNPNMR

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NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

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

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

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:

Isotope labeling:

Solid-state NMR:

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06-16-2020, 01:36 AM

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Dissolution Dynamic Nuclear Polarization Methodology and Instrumentation #DNPNMR

From The DNP-NMR Blog:

Dissolution Dynamic Nuclear Polarization Methodology and Instrumentation #DNPNMR

Kurzbach, Dennis, and Sami Jannin. “Dissolution Dynamic Nuclear Polarization Methodology and Instrumentation,” 7:16, 2018.

https://onlinelibrary.wiley.com/doi/...590.emrstm1563.

Dissolution dynamic nuclear polarization (d-DNP) denotes a method to enhance signals in nuclear magnetic resonance (NMR) spectroscopy by hyperpolarization of nuclear spins at cryogenic temperature in the solid state prior to a rapid dissolution, transfer of a sample to a conventional NMR spectrometer, and detection at ambient temperatures in the liquid state. The purpose of this chapter is to review the general methodology behind d-DNP, and instrumentational aspects going from basic tasks, such as sample preparation, over operational aspects, such as the use of crosspolarization techniques, magnetic tunnels, and the removal of polarization agents, to future perspectives, such as the long-distance transport of hyperpolarized substrates.

Go to The DNP-NMR Blog for more info.

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