[Herman Stehouwer]

1100-1230 and 1330-1500 on Thursday 27 March

Session chair(s) including email address(es):

 

Lucia Banci (banci@cerm.unifi.it)

Antonio Rosato (rosato@cerm.unifi.it)

Chris Morris (chris.morris@stfc.ac.uk)

 

 

Overview:

 

Structural Biology (SB) is concerned with the determination of the three-dimensional (3D) structures of 

individual biomacromolecules (proteins and nucleic acids), and with those of complexes and higher order 

structures formed by association of these individual components. In addition, it is now very evident that 

the functional properties of these systems are often not adequately captured by looking at static 3D 

models and, consequently, dynamic properties must be assessed and accounted for. A variety of 

techniques, based on very different physical principles, allows researchers to investigate the structural 

and dynamic properties of biological macromolecules, at different levels of detail and for systems with 

different characteristics (e.g. 

solid vs. solution, large vs. small molecular weight, etc.).

Among others, the following data issues arise from the above background:

– common ontologies across all the structural biology disciplines still need to be identified

– the development of metadata for structural biology experiments is incomplete and not standardized

– there is no community-level consensus on the representation of data on biomacromolecular dynamics, 

either from experiments or simulations

– policies to make SB raw data discoverable and citable are not in place

 

The present session aims at identifying cross-disciplinary commonalities addressing the points 

mentioned above. Possible strategies to identify, implement and disseminate policies for adoption at 

least at the main Research Infrastructures in SB will be discussed.

 

AGENDA:

 

Session I ­ Thursday, March 27th, 2014 – 11.00 -12.30
Structural biology metadata
11.00 ­ – 11.15 The infrastructural scenario for SB ­ Lucia Banci
11.15 ­ – 11.35 SB at synchrotrons / interaction with the IG for Photon and Neutron Science ­ Erica Yang
11.35 – 11.50 Open issues for structural biology data and metadata ­ Antonio Rosato

11.50 – 12.05 Towards a SB Work Bench ­ Chris Morris
12.05 ­ – 12.30 General discussion

 

Session II ­ Thursday, March 27th, 2014 ­ 13.30 -15.00
Structural biology towards biomedicine and health
13.30 -13.50 Data management and processing pipelines at DLS ­ Alun Ashton
13.50 ­ – 14.05 Data management in NMR – Geerten Vuister
14.05 ­ – 14.20 weNMR: data management and processing on the European Grid ­ Antonio Rosato
14.20 ­ – 15.00 General Discussion (incl. IG future plans & identification of a use case / set of use cases)

 

A round-table discussion will recapitulate the main points to be included in a draft policy statement.

 

 

Links to additional reading material:

 

Please see the group page itself

SBWB.pptx

NMR20data20mangement20in20Cellular20Structural20Biology20GV.pdf

Data20management20and20processing20pipelines20at20DLS.pdf

Structual-Biology-RDA-Plenary-3-final_EY.pdf

RDA_WeNMR_2014.pptx

RDA_2014_LB.pptx

RDA_2014_AR_SessI.ppt

Discussion