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PhD SSNMR

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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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11-21-2011, 08:57 PM

nmrlearner

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PhD SSNMR

PhD SSNMR

We are looking for a young, open-minded, enthusiastic, committed and diligent individual with a background in chemistry, physics or material-sciences (German Diploma/MSc equivalent).
The successful candidate will work on the multi nuclear solid state NMR characterization of immobilized catalysts, metal-clusters, metal-nanoparticles and their interactions with substrates. The immobilized catalysts are made in-house by covalently binding metal-containing catalysts to the surface of nano-structured silica materials with different morphologies (porous or nanoparticles) via organic linkers or obtained by a cooperating group at the CNRS-Toulouse.

The structure of the immobilized catalysts on the support material, its interactions with substrates and the influence of macroscopic parameters such as temperature on its properties are investigated. The catalytic activity of the catalysts is tested by model reactions, in particular hydrogenations.
Previous hands-on experience with solid state NMR or heterogeneous catalysis will be helpful, but is not necessary.

We offer a state-of-the-art research infrastructure including solid-state NMR (600, 500 400 and 300 MHz) spectrometers and a wet-chemistry lab including GC, HPLC, UV/Vis and other techniques. An additional 400MHz DNP-NMR solid state NMR spectrometer will be installed at the end of 2012.

The NMR lab is headed by an academic staff scientist, who provides user support. The group is part of the research group FOR-1583, the research network SFB 598, the LOEWE-research group SOFT-CONTROL and various national and international cooperation projects. The group is located at the Campus Lichtwiese of the Technical University Darmstadt.
Enquiries and applications shall be addressed to Gerd Buntkowsky (gerd.buntkowsky at chemie.tu-darmstadt.de).

Prof. Dr. Gerd Buntkowsky
Dekan
Physikalische Chemie der kondensierten Materie
Technische Universität Darmstadt
Eduard-Zintl-Institut für Anorganische und Physikalische Chemie
Petersenstr. 20, D-64287 Darmstadt
phone : +49 6151/16-2607 fax: +49 6151/16-4347

email : gerd.buntkowsky@chemie.tu-darmstadt.de
Research : http://www.researcherid.com/rid/B-3206-2010
WWW : http://www1.tu-darmstadt.de/fb/ch/akbuntkowsky

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