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Autoassign
MARS
UNIO Match
PINE
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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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Structures of Larger Proteins in Solution: Three- and Four-Dimensional Heteronuclear NMR Spectroscopy - Science
Structures of Larger Proteins in Solution: Three- and Four-Dimensional Heteronuclear NMR Spectroscopy - Science Structures of Larger Proteins in Solution: Three- and Four-Dimensional Heteronuclear NMR Spectroscopy Science Read here
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Ligand-induced protein transition state stabilization switches the binding pathway from conformational selection to induced fit - pnas.org
Ligand-induced protein transition state stabilization switches the binding pathway from conformational selection to induced fit - pnas.org Ligand-induced protein transition state stabilization switches the binding pathway from conformational selection to induced fit pnas.org Read here
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Protein NMR spectroscopy in structural genomics - Nature.com
Protein NMR spectroscopy in structural genomics - Nature.com Protein NMR spectroscopy in structural genomics Nature.com Read here
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On the Analytical Superiority of 1D NMR for Fingerprinting the Higher Order Structure of Protein Therapeutics Compared to Multidimensional NMR Methods - ACS Publications
On the Analytical Superiority of 1D NMR for Fingerprinting the Higher Order Structure of Protein Therapeutics Compared to Multidimensional NMR Methods - ACS Publications On the Analytical Superiority of 1D NMR for Fingerprinting the Higher Order Structure of Protein Therapeutics Compared to Multidimensional NMR Methods ACS Publications Read here
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Picosecond Dynamics of a Small Molecule in Its Bound State with an Intrinsically Disordered Protein - ACS Publications
Picosecond Dynamics of a Small Molecule in Its Bound State with an Intrinsically Disordered Protein - ACS Publications Picosecond Dynamics of a Small Molecule in Its Bound State with an Intrinsically Disordered Protein ACS Publications Read here
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Nanodomain Clustering of the Plant Protein Remorin by Solid-State NMR - Frontiers
Nanodomain Clustering of the Plant Protein Remorin by Solid-State NMR - Frontiers Nanodomain Clustering of the Plant Protein Remorin by Solid-State NMR Frontiers Read here
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