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WP9: From cells to molecules: integrating structural data

WP9: From cells to molecules: integrating structural data . Martyn Winn - STFC, Instruct Gerard Kleywegt - EBI, Elixir Lucia Banci - CERM, Instruct Ardan Patwardhan - EBI, Elixir Narayanan Krishnan - STFC, Instruct (WP4) Larry Hunter (SAB). Plans. Due to start in Jan 2013

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WP9: From cells to molecules: integrating structural data

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  1. WP9: From cells to molecules: integrating structural data Martyn Winn - STFC, Instruct Gerard Kleywegt - EBI, Elixir Lucia Banci - CERM, Instruct Ardan Patwardhan - EBI, Elixir Narayanan Krishnan - STFC, Instruct (WP4) Larry Hunter (SAB)

  2. Plans • Due to start in Jan 2013 • Bilateral interaction between Instruct and Elixir • EBI and CERM have people, STFC needs to recruit • Immediate objectives: • survey available software • investigate how to include non-deposited information • Pull in more people from Instruct, Elixir - maybe other RIs

  3. BioMedBridges context • Task 2 deals with annotation of segmented volume data - WP3 could advise on annotation • Connection to EuroBioImaging? AIM. • Task 3 requires a description of conformational variability (flexibility, IDPs) - WP3 • WP4 - services will follow EBI norms • WP5 - no known issues • doesn't use personal data • data is generally in the public domain, pharma could use stand-alone version • software needs licensing

  4. Metrics • Metrics: • Accuracy of shape matching - test with known cases • Usage of software distributed within Instruct (e.g. via CCP-EM, CCP4) • Usage of web services • Evidence of usage by other RIs

  5. Feedback (added later) • AIM also 3D • look at nucleic acids, ligands • link to EuroBioImaging, report on correlative microscopy soon?

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