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NMR processing:
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Side-chains:
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UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
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ASDP
UNIO ATNOS-Candid
UNIO Candid
Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
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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
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Chemical shifts:
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Vasco
iCing
RDCs:
DC
Anisofit
Pseudocontact shifts:
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Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
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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
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Zyggregator
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Solid-state NMR:
sedNMR


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  #1  
Old 10-24-2009, 09:40 AM
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Default Answered: alignment in a magnetic field

hi all,

I have a general question about alignment in a magnetic field.
For me, alignment in alignment media is easier to grasp because of interactions that I am familiar with as a chemist.

But, whats the principle behind molecules that align in a magnetic field?
There are a lot of examples like cyanometmyoglobin (from the Prestegard paper) where paramagnetic susceptibility plays a role. Thats understandable from my side.
But what about for instance short DNA dimers (helices), collagen gels or bacteriophages?
I could not really find a nice (clear to me) explanation, why these molecules align...

Does anyone of you knows more about it?
thanx a lot!
Hydrazin
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Best Answer - Posted by gabrielc
Elongated molecules like DNA helices, bacteriophage etc. have intrinsic large magnetic susceptibility anisotropies which aligns them in magnetic fields (similar to magnetic dipoles). Check out papers from the 80s by A. A. Bothner-By for more details.

  #2  
Old 09-23-2010, 06:13 PM
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Default

Elongated molecules like DNA helices, bacteriophage etc. have intrinsic large magnetic susceptibility anisotropies which aligns them in magnetic fields (similar to magnetic dipoles). Check out papers from the 80s by A. A. Bothner-By for more details.
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