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Announcing the CASD-NMR 2013 evaluation meeting

Dear All,

This saturday, representatives of the labs that particpated in the last round of CASD-NMR will meet in Piscataway, NY, to discuss the outcome of their efforts. We have ~120 submissions over 10 targets, so it promises to be a day full with data, procedures and of course structures. 

We are trying to address a number of questions:


- What changes, modifications, improvements were implemented during this round in the protocols; what were the reasons for this?

- Given that we now use unfiltered peak lists, do the automated methods still yield reliable results? 

- Are the automated methods robust towards errors? Where it is not successful - what issues limit the success?

- Are there advantages for also using the experimental data?

- Are the resulting structures more bias-free compared to procedures using manually edited input?

- Do the automated methods extract more information from the available data?


We will also be planning the 3rd round of CASD-NMR. Please remember, open to all to paticipate and submit targets. Look under WeNMR->CASD-NMR for more info.


For those interested, here is our program:


9.00-9.55:    Arrival

9.55-10.00:  Welcome

10.00-10.15: Overview of the targets and experimental data handling: Antonio Rosato and Wim Vranken

10.15-10.45: Montelione Lab (J. Huang)

10.45-11.15: Nilges/Malliavin Lab

11.15-11.30: Break

11.30-12.00: Guentert Lab

12.00-12.30: Torsten Lab

12.30-13.00: Baker Lab

13.00-14.00: Lunch

14.00-14.30: Markley Lab

14.30-15.00: Vendrusculo Lab

15.00-15.30: Zong Lab

15.30-16.00: Lange Lab

16.00-16.15: Break

16.15-16.45: Utrecht Lab

16.45-17.15: Evaluation of results/Discussion (Piscataway/Florence)

17.15-17.45: Evaluation of results/Discussion (Leicester)

17.45-18.00: Conclusions/Wrapup


Stay tuned for the outcomes.




Geerten Vuister

University of Leicester

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"The FP7 WeNMR (project# 261572) and H2020 West-Life (project# 675858) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure and DIRAC4EGI service with the dedicated support of CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, RAL-LCG2, TW-NCHC, SURFsara and NIKHEF, and the additional support of the national GRID Initiatives of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, South Africa, Malaysia, Taiwan and the US Open Science Grid."
And the following article describing the WeNMR portals should be cited:
Wassenaar et al. (2012). WeNMR: Structural Biology on the Grid.J. Grid. Comp., 10:743-767.


The WeNMR Virtual Research Community has been the first to be officially recognized by the EGI.

European Union

WeNMR is an e-Infrastructure project funded under the 7th framework of the EU. Contract no. 261572

WestLife, the follow up project of WeNMR is a Virtual Research Environment e-Infrastructure project funded under Horizon 2020. Contract no. 675858