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NMR processing:
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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:
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RPF scores
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Chemical shifts:
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iCing
RDCs:
DC
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Pseudocontact shifts:
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Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
Prosa
ProQ
MetaMQAPII
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Eval123D
STAN
Ramachandran Plot
Rampage
ERRAT
Verify_3D
Harmony
Quality Control Check
NMR spectrum prediction:
FANDAS
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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 PhD positions in NMR at EPFL

From The DNP-NMR Blog:

PhD positions in NMR at EPFL

From the Ampere Magnetic Resonance List




PhD positions are available working with Professor Lyndon Emsley in the Laboratory for Magnetic Resonance at the EPFL in Lausanne, Switzerland,


The projects involve the development of new experimental methods to determine the structure of complex solid materials at different length scales, from atomic level structures to micro-meter level organisation and architecture.


Approaches include dynamic nuclear polarization enhanced multi-dimensional correlation spectroscopy, high-resolution homonuclear dipolar decoupling, or the development of advanced computational methods using DFT to calculate NMR parameters or molecular modelling methods to calculate structures.


The goals are to determine structure-activity relations in pharmaceutical polymorphs, polymer composites, controlled release formulations, porous materials or catalytic surfaces.


The EPFL is one of the world’s leading universities, located on a beautiful campus on the shores of Lake Geneva. The Laboratory has extensive state-of-the-art equipment and infrastructure, including advanced solid-state DNP instrumentation. More information in can be found here: http://lrm.epfl.ch. The PhD positions are fully funded, and provide a high standard of living.


Motivated candidates with an undergraduate background in chemistry or physics should send their CVs to lyndon.emsley@epfl.ch


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This is the AMPERE MAGNETIC RESONANCE mailing list:
http://www.drorlist.com/nmrlist.html


NMR web database:
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Go to The DNP-NMR Blog for more info.
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