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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
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PECAN
Flexibility from chemical shifts:
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HADDOCK
Chemical shifts re-referencing:
Shiftcor
UNIO Shiftinspector
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RefDB
NMR model quality:
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Chemical shifts:
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iCing
RDCs:
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Protein geomtery:
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NMR spectrum prediction:
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Flexibility from structure:
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Molecular dynamics:
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Chemical shifts prediction:
From structure:
Shiftx2
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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 07-19-2014, 01:03 AM
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Default CrystEngComm themed issue International Year of Crystallography Celebration: North America

CrystEngComm themed issue International Year of Crystallography Celebration: North America

CrystEngComm
Themed issue: International Year of Crystallography Celebration: North Americaissue 31, 21 August 2014, Page 7151 to 7358

guest-edited by Christer B. Aakeröy (Kansas State) and Tomislav Friš?i? (McGill)


Christer B. Aakeröy and Tomislav Friš?i?, "2014 International year of crystallography celebration: North America," (Editorial) CrystEngComm 16 (2014) 7160-7161. http://dx.doi.org/10.1039/c4ce90100b

Canadian NMR contributions

K. Shin, I.L. Moudrakovski, M.D. Davari, S. Alavi, C.I. Ratcliffe, and J.A. Ripmeester, "Crystal engineering the clathrate hydrate lattice with NH4F,"CrystEngComm 16 (2014) 7209-7217. (IYCr 2014 North America themed issue) http://dx.doi.org/10.1039/c3ce41661e

J. Viger-Gravel, J.E. Meyer, I. Korobkov and D.L. Bryce, "Probing Halogen Bonds with Solid-State NMR Spectroscopy. Observation and Interpretation of J(77Se, 31P) Coupling in Halogen-Bonded P=Se···I Motifs," CrystEngComm 16 (2014) 7285-7297. (IYCr 2014 North America themed issue) http://dx.doi.org/10.1039/c4ce00345d

M.P. Hildebrand, H. Hamaed, A.M. Namespetra, J.M. Donohue, R. Fu, I. Hung, Z. Gan and R.W. Schurko, "35Cl Solid-State NMR of HCl Salts of Active Pharmaceuticals Ingredients: Structural Prediction, Spectral Fingerprinting and Polymorph Recognition," CrystEngComm 16 (2014) 7334-7356. (IYCr 2014 North America themed issue) http://dx.doi.org/10.1039/c4ce00544a


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