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NMR processing:
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NMR assignment:
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UNIO Match
PINE
Side-chains:
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NOEs:
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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
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Torsion angles from chemical shifts:
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Secondary structure from chemical shifts:
CSI (via RCI server)
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Flexibility from chemical shifts:
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Interactions from chemical shifts:
HADDOCK
Chemical shifts re-referencing:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
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NMR model quality:
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iCing
RDCs:
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Pseudocontact shifts:
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What-If
iCing
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SAVES2 or SAVES4
Vadar
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MetaMQAPII
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STAN
Ramachandran Plot
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ERRAT
Verify_3D
Harmony
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NMR spectrum prediction:
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MestReS
V-NMR
Flexibility from structure:
Backbone S2
Methyl S2
B-factor
Molecular dynamics:
Gromacs
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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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Old 03-23-2025, 09:41 PM
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Default Solid-state NMR observation of chitin in whole cells by indirect (15)N detection with NC, NCC, CNC and CNCC polarization transfers

Solid-state NMR observation of chitin in whole cells by indirect (15)N detection with NC, NCC, CNC and CNCC polarization transfers

Chitin is the most important nitrogen-containing polysaccharide found on Earth. This polysaccharide is a polymer of an N-acetylglucosamine and it is a crucial structural component of fungal cell walls and crustaceans. Magic-angle spinning solid-state NMR is emerging as a powerful analytical approach to study polysaccharides in the context of intact cell walls and whole cells. The presence of an acetamido group in chitin is attractive for ^(15)N solid-state NMR. Here we investigate the use of...

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