Difference: TheoryExperiment (1 vs. 2)

Revision 220 Jul 2005 - Main.DavidCowburn

 
META TOPICPARENT name="MetaGroup"
Contents

Meetings of Theory and Experiment in Structural Biology

Preliminary Discussion July 20 MetaGroup?

Discussant I, DavidCowburn?

  • Overview of the matrix of interactions
Please feel free to make some additions / changes / disputes -- please sign your contributions

THEORY
Bioinformatics I - Genomics/ Function Annotation
Bioinformatics II - Function/ Structure prediction
Molecular simulation I - Thermodynamic focus
Molecular simulation II - Dynamics
Molecular simulation III - Experiment energy uses (XPLOR et al ) for refinement/ analysis
Signal processing theory / image analysis - Fourier, Bessel, parametric estimation methods , cross correlation
Statistics - what's significant
Mechanics - supramolecular analysis

EXPERIMENT (NYSBC centric)
NMR structure determination
NMR dynamics interpretation
NMR chem physics
Diffraction - phase issues
Diffraction - significance of structues
Structure analysis - novelty, predicitive power
EM - image enhancement
CEM - single particle reconstruction
EM - fitting I - specific fitting of density to "known" stuctures
EM -fitting II - fitting of multiple informtion sources to density
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>		Comment -- this is obviously the side of what experimentalists want, and does not deal with a lot of questions of more fundemental significance to both theory and practice
 
THEORY EXPERIMENT
  NMR structure determination NMR dynamics interpretation NMR chem physics diff - phase diff - sign str. anal. EM image CEM SPR EM F- I EM F - II
BI - I construct design construct design,
signf. of motion 		construct design construct design construct comparisons component stoichiometry comopnent stroichiometry component stroichiometry component stroichiometry component stroichiometry
BI - II comp modeling       comp modelling comp modelling   comp modelling of components comp modelling of components comp modelling of components
MS -I stability prediction comparison exp/ parameter prediciton, structure refinement   prediction comparison predicition comparison        
MS - II stability ? prediction comparison, reparametrization, long term comparison to us/ms motion                
Molecular simulation III - Experiment energy uses (XPLOR et al ) for refinement/ analysis utility     utility utility     future ? utility future ? utility future ? utility
Sig Proc utility utility utility utility utility   utility utility utility utility
Statistics underdeveloped utility underdeveloped utility underdeveloped utility underdeveloped ? utility underdeveloped ? utility     utility (undedv?) needed utility needed utility
Mechanics fast structure determination with intergation with MS-III extesnions of MS-II       ?   understanding likely subsstructure interconversions need? need ?

-- DavidCowburn - 08 Jul 2005

Revision 108 Jul 2005 - Main.DavidCowburn

 
META TOPICPARENT name="MetaGroup"
Contents

Meetings of Theory and Experiment in Structural Biology

Preliminary Discussion July 20 MetaGroup?

Discussant I, DavidCowburn?

  • Overview of the matrix of interactions
Please feel free to make some additions / changes / disputes -- please sign your contributions

THEORY
Bioinformatics I - Genomics/ Function Annotation
Bioinformatics II - Function/ Structure prediction
Molecular simulation I - Thermodynamic focus
Molecular simulation II - Dynamics
Molecular simulation III - Experiment energy uses (XPLOR et al ) for refinement/ analysis
Signal processing theory / image analysis - Fourier, Bessel, parametric estimation methods , cross correlation
Statistics - what's significant
Mechanics - supramolecular analysis

EXPERIMENT (NYSBC centric)
NMR structure determination
NMR dynamics interpretation
NMR chem physics
Diffraction - phase issues
Diffraction - significance of structues
Structure analysis - novelty, predicitive power
EM - image enhancement
CEM - single particle reconstruction
EM - fitting I - specific fitting of density to "known" stuctures
EM -fitting II - fitting of multiple informtion sources to density

  • Fill in your pieces!
THEORY EXPERIMENT
  NMR structure determination NMR dynamics interpretation NMR chem physics diff - phase diff - sign str. anal. EM image CEM SPR EM F- I EM F - II
BI - I construct design construct design,
signf. of motion 		construct design construct design construct comparisons component stoichiometry comopnent stroichiometry component stroichiometry component stroichiometry component stroichiometry
BI - II comp modeling       comp modelling comp modelling   comp modelling of components comp modelling of components comp modelling of components
MS -I stability prediction comparison exp/ parameter prediciton, structure refinement   prediction comparison predicition comparison        
MS - II stability ? prediction comparison, reparametrization, long term comparison to us/ms motion                
Molecular simulation III - Experiment energy uses (XPLOR et al ) for refinement/ analysis utility     utility utility     future ? utility future ? utility future ? utility
Sig Proc utility utility utility utility utility   utility utility utility utility
Statistics underdeveloped utility underdeveloped utility underdeveloped utility underdeveloped ? utility underdeveloped ? utility     utility (undedv?) needed utility needed utility
Mechanics fast structure determination with intergation with MS-III extesnions of MS-II       ?   understanding likely subsstructure interconversions need? need ?

-- DavidCowburn - 08 Jul 2005

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