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NMR processing:
MDD
NMR assignment:
Backbone:
Autoassign
MARS
UNIO Match
PINE
Side-chains:
UNIO ATNOS-Ascan
NOEs:
UNIO ATNOS-Candid
UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
XPLOR-NIH
ASDP
UNIO ATNOS-Candid
UNIO Candid
Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
Amber
Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
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:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
RefDB
NMR model quality:
NOEs, other restraints:
PROSESS
PSVS
RPF scores
iCing
Chemical shifts:
PROSESS
CheShift2
Vasco
iCing
RDCs:
DC
Anisofit
Pseudocontact shifts:
Anisofit
Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
Prosa
ProQ
MetaMQAPII
PSQS
Eval123D
STAN
Ramachandran Plot
Rampage
ERRAT
Verify_3D
Harmony
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:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
sedNMR


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Default Postdoctoral position in solid-state NMR of pharmaceuticals University of Windsor, Windsor, Ontario

Postdoctoral position in solid-state NMR of pharmaceuticals University of Windsor, Windsor, Ontario

A PDF position is available in the Schurko group at the University of Windsor with starting dates between May 2014 - September 2014. The PDF will be in charge of conducting research and managing a project area involving SSNMR of pharmaceutical compounds, related materials and nanoparticles. We are equipped with 400 MHz and 500 MHz SSNMR spectrometers, pXRD and scXRD equipment, wet lab spaces (including glove boxes) and fantastic shared computational resources. We also have access to high field (800, 900 MHz) NMR spectrometers. The PDF candidate should have extensive background in solid-state NMR. The position starts with a one-year contract, with option to extend to second and third years via mutual agreement of the PDF and the PI.
For more information, please contact me at: [rschurko "at" uwindsor.ca]

Robert W. Schurko, Professor of Chemistry
Department of Chemistry & Biochemistry
University of Windsor, 389 Essex Hall
Windsor, Ontario, Canada N9B 3P4
Phone: 519-253-3000 x3548
Fax: 519-973-7098
rschurko "at" uwindsor.ca
Please visit my website:
http://www.uwindsor.ca/schurko


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