Molecules - Special Issue “Hyperpolarized Molecules for Applications in Chemistry and Biomedicine”

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Molecules - Special Issue “Hyperpolarized Molecules for Applications in Chemistry and Biomedicine”

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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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03-24-2019, 10:41 PM

nmrlearner

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Molecules - Special Issue “Hyperpolarized Molecules for Applications in Chemistry and Biomedicine”

From The DNP-NMR Blog:

Molecules - Special Issue “Hyperpolarized Molecules for Applications in Chemistry and Biomedicine”

Dear Colleagues,

I am pleased to announce that the journal Molecules (ISSN 1420-3049, IF 3.098) is currently running an NMR-related special issue entitled "Hyperpolarized Molecules for Applications in Chemistry and Biomedicine". Molecules is fully open access and is a partner of the Swiss Chemical Society. Open access is supported by the authors and their institutes, and an Article Processing Charge (APC) of 1800 CHF applies to accepted papers.

We welcome you to submit abstracts before 31 July 2019. Given the fast development of hyperpolarization technology, I was able to negotiate with the journal the following discounts to papers: two 50% discounts, three 30% discounts, and five 20% discounts.

For more information about the Special Issue, please see: https://www.mdpi.com/journal/molecul...ized_molecules

The final due date for the contribution will be 31 August 2019, and manuscripts can be submitted from now until the deadline.

We look forward to hearing from you soon.

Warm regards,
Danila Barskiy

---
Danila A. Barskiy, PhD
Postdoctoral Scholar
danilabarskiy.com/
Pines Lab
University of California, Berkeley
QB3 Chemistry Department
227B Stanley Hall
Berkeley, CA 94720-3220

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