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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


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  #1  
Old 03-25-2005, 07:49 AM
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EMBO Practical Course: Structure determination of biological macromolecules by solution NMR

Wed Sep 7 - Wed Sep 14 2005


Info about EMBO NMR Practical Course from its official website:

Teachers:
  • Blackledge - RDCs, relaxation
  • Delaglio - NMRPIPE, TALOS
  • Griesinger - NMR experiments / theory
  • Guentert - structure calculation
  • Mott - processing, data analysis
  • Nietlisbach - NMR experiments/phase cycling/gradients
  • Pervushin - TROSY, large proteins
  • Schwalbe - NMR experiments, folding
  • Simon - NMR experiments / assignments
  • Tjandra - RDCs, relaxation
  • Vuister - NMR, J-couplings, structure validation
The intention of the course is to provide practical training in important aspects of structure determination by NMR. The emphasis will be on setting up experiments on the spectrometer (optimizing parameters, pulse programs), on processing and analyzing the NMR data and on structure calculations. It is impossible to also teach all the necessary theoretical background of modern NMR experiments in a few days. Therefore, the course is aimed at PhD students and postdocs who have some working knowledge of NMR theory, i.e. product operator formalism, and who understand the basic principles of NMR pulse sequences. Possible candidates should have the level of knowledge of students that have participated in a past "Advanced NMR" EMBO lecture course on NMR theory organized by Kaptein, Oschkinat and Griesinger.

NMR has established itself as an important method for solution structure determination of biological macromolecules at atomic resolution and is unique in extracting dynamical information on biological macromolecules over a large range of timescales. The EMBO Practical Courses on that topic organized by us in 1999, 2001 and 2003 are the only ones emphasizing practical aspects of NMR based structure determination in a hands-on fashion, i.e. by setting up experiments at the spectrometer and performing structure calculations. In that respect, we see this practical course as complementary to the “Advanced NMR” EMBO lecture course.
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  #2  
Old 04-12-2005, 08:23 AM
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