2nd Annual CCP-SAS Project Workshop
October 6-7, 2014
Diamond Light Source, UK
This Workshop will follow on from that held at NIST Gaithersburg, USA in February 2014.
Whereas that Workshop was concerned with the wider context of CCP-SAS, the opportunities and challenges
for it to contribute to bio-oriented soft matter science, and the foundations on which the Project
would be built, this Second Workshop will be concerned with what has been developed to date, and how
the capability of CCP-SAS can be extended to more mainstream soft matter science such as the
simulation of micelles/vesicles/synthetic polymers. There will also be presentations on the
wider, but related, CCP portfolio and UK supercomputing infrastructure.
NOTE: As the Workshop will be held at the Science &
Technology Facility Council's Rutherford Appleton Laboratory, home to the Diamond Light Source, registration
is mandatory in order to gain access. Registration is free but will be on a first-come, first-served
basis until the maximum attendance is reached (~100 for Mon 6 Oct). Registration will close on Monday 8 September.
The first day of the Workshop (Monday 6 October) is open to all interested members of the scientific
community. Delegates are encouraged to consider presenting posters. Lunch and refreshments will be provided.
There will also be a developers meeting on Wednesday 8 October which anyone interested in contributing
software and expertise to the Project is welcome to attend. If this interests you, please contact Dr David Wright as soon as possible. Tuesday 7 October will be devoted to
organizing the activities of the Project and is restricted to Project members and others specifically invited
to contribute.
Program (subject to change)
Monday October 6, 2014
Welcomes
- 09:00 - 09:10
- 09:10 - 09:20
- 09:20 - 09:30
- Diamond welcome (Prof. Andrew Harrison - Diamond CEO)
- ISIS welcome (Prof. Robert McGreevy - ISIS Director)
- EPSRC and CCP-SAS (Dr Iain Larmour - UK EPSRC)
Introduction to the CCP-SAS Project (Session Chair: tbd)
- The CCP-SAS Vision (Prof. Paul Butler - UTK/NIST, CCP-SAS Co-PI)
Related CCP's (Session Chair: tbd)
- 09:40 - 10:00
- 10:00 - 10:20
- 10:20 - 10:25
- 10:25 - 11:00
- About the CCP's (Prof. Peter Coveney - UCL, Chair of the CCP Steering Panel)
- 'Flash' presentations (Invited CCP Representatives)
- Dr Martyn Winn (STFC) - CCP-EM / CCP-BioSim / CCP4
- Dr Geerten Vuister (Leicester) - CCPN
- Dr Jonathan Yates (Oxford) - CCP-NC
- others tbc
- Questions & Answers
- Refreshments & Posters (Atrium, Diamond House)
CCP-SAS (Session Chair: tbd)
- 11:00 - 11:20
- 11:20 - 11:40
- 11:40 - 11:50
- The CCP-SAS Portfolio (CCP-SAS Developers)
- Project Update (Prof. Stephen Perkins - UCL)
- Questions & Answers
UK Supercomputing (Session Chair: tbd)
- 11:50 - 12:10
- 12:10 - 12:20
- Overview of Resources & Access Arrangements (Miss Liz Sim - EPCC Edinburgh)
- Questions & Answers
Talk (Session Chair: tbd)
- 12:20 - 12:40
- 12:40 - 13:30
- Prof Lise Arleth (Copenhagen) - 'Small-Angle Scattering and Modelling of Complex Biological Structures. Lessons learned from Nanodisc systems'
- Buffet Lunch & Posters (Atrium, Diamond House)
CCP-SAS Test Project Reports (Session Chair: tbd)
- 13:30 - 13:55
- 13:55 - 14:20
- 14:20 - 14:30
- UK-based Projects:
- Dr Ruodan Nan (UCL) - 'The solution structures of MASP (mannose-binding lectin-associated serine protease) provides insight on complement activation'
- Dr Daniel Myatt (ISIS) - 'SASSIE modelling of calmodulin using SANS data'
- US-based Projects:
- Dr Nick Clark & Dr Susan Krueger (NIST) - 'SASSIE studies of IDPs, nucleic acids and complexes'
- Questions & Answers
The Zebedde Project (Session Chair: tbd)
- 14:30 - 14:50
- 14:50 - 15:00
- Dr David Willock (Cardiff) - 'Zebedde: Automated structure building with Monte Carlo equilibration'
- Questions & Answers
Talk (Session Chair: tbd)
- Dr Dave Adams (Liverpool) - 'Self-sorting low molecular weight gelators'
Wrap-up (Session Chair: tbd)
- 15:20 - 15:40
- 15:40 - 16:00
- 16:00 - 17:00
- 16:00 - 17:00
- Open Discussion
- Refreshments (Atrium, Diamond House)
- Depart
- Optional tours of Diamond or ISIS
Tuesday October 7 2014
Program
The program for Tuesday will be circulated to Project members separately.