36th Magnetic Resonance Discussion Group Meeting of the Gesellschaft Deutscher Chemiker (GDCh)

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36th Magnetic Resonance Discussion Group Meeting of the Gesellschaft Deutscher Chemiker (GDCh)

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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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07-07-2014, 11:50 PM

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36th Magnetic Resonance Discussion Group Meeting of the Gesellschaft Deutscher Chemiker (GDCh)

From The DNP-NMR Blog:

36th Magnetic Resonance Discussion Group Meeting of the Gesellschaft Deutscher Chemiker (GDCh)

From the Ampere Magnetic Resonance List

Dear Colleagues,

The Leibniz-Institut für Molekulare Pharmakologie (FMP), the Physikalisch-Technische Bundesanstalt (PTB), the Max-Delbrück-Centrum (MDC) and the Freie Universität Berlin will be hosting the 36th Magnetic Resonance Discussion Group Meeting of the Gesellschaft Deutscher Chemiker (GDCh) from Sep 29-Oct 2, 2014. The meeting will be hold in conjunction with a DIP satellite meeting "Progress in DNP".

The program will cover a wide range of magnetic resonance topics addressing participants from both academia and industry. These topics will include but are not limited to solution and solid-state NMR spectroscopy, magnetic resonance imaging, and EPR spectroscopy. Applications cover the fields of small molecules and materials, of proteins and nucleic acids, medical imaging, polymers and pharmaceutical compounds, EPR and hyperpolarization, and computational methods.

For further details please follow this link:
www.fmp-berlin.de/fgmr2014

Please forward this announcement to anyone who might be interested.

Hartmut Oschkinat Thomas Risse Leif Schröder

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Go to The DNP-NMR Blog for more info.

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