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NMR processing:
MDD
NMR assignment:
Backbone:
Autoassign
MARS
UNIO Match
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
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

Showing results 1 to 3 of 3
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Search: Threads Started By: MCGowan
  Thread / Thread Starter Last Post Replies Views Forum
Go to first new post Computational prediction of three-dimensional protein structure from NMR chemical shifts - Kai Kohlhoff
Computational prediction of three-dimensional protein structure from NMR chemical shifts - Kai Kohlhoff, Microsoft Research Summer School , Cambridge , July 2008
MCGowan
09-16-2008 02:10 AM
by MCGowan Go to last post
0 6,802 Educational web pages
Go to first new post Protein Structures by NMR
Protein Structures by NMR - Thomas Vosegaard, Laboratory for Biomolecular NMR Spectroscopy, Center for Insoluble Protein Structures (inSPIN) and Interdisciplinary Nanoscience Center (iNANO) Lecture outline: • Proteins --Primary, secondary, tertiary structure • 1H NMR --COSY --TOCSY --NOESY
MCGowan
09-16-2008 01:59 AM
by MCGowan Go to last post
0 6,233 Educational web pages
Go to first new post NMR in Structural Biology - Alessandro Pintar, Protein Structure and Bioinformatics, ICGEB, Trieste
Nuclear Magnetic Resonance in Structural Biology - Alessandro Pintar, Protein Structure and Bioinformatics, ICGEB, Trieste Thanks to advancements both in the theory and in the instrumentation, Nuclear Magnetic Resonance (NMR) has widened its use from small organic molecules to oligosaccharides, peptides, proteins, and nucleic acids. Together with X-ray crystallography, NMR is the only technique that can provide structural information at the atomic level. However, applications of NMR are not limited to 3D structure calculation: it can be used to study flexible biomolecules (peptides,...
MCGowan
09-16-2008 01:50 AM
by MCGowan Go to last post
0 9,145 Educational web pages
Showing results 1 to 3 of 3

 
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