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NMR processing:
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NMR assignment:
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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
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NMR model quality:
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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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What-If
iCing
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SAVES2 or SAVES4
Vadar
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MetaMQAPII
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Verify_3D
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Quality Control Check
NMR spectrum prediction:
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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 H-NMR Example (cont) Matching The Molecule To The Spectroscopy Graph

H-NMR Example (cont) Matching The Molecule To The Spectroscopy Graph


H-NMR Example (cont) Matching The Molecule To The Spectroscopy Graph

Download My ebook: "10 Secrets To Acing Organic Chemistry" forms.aweber.com leah4sci.com presents: Part 2 of How to match a molecule to an NMR graph by predicting what the graph will look like based on hydrogen type analysis followed by comparing to the given spectroscopy graph For information on 1-1 online tutoring visit my website here: leah4sci.com See additional videos on my website here: leah4sci.com
From: Leah4SciTutorials
Views: 228
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Time: 12:58 More in Education



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