Dear colleagues,

As you all know, coordinates derived by theoretical modeling cannot be deposited in the PDB (1,2). As a result, many manuscripts reporting results of theoretical modeling or simulations are published today without making the model coordinates available. This makes it impossible for the reader and reviewer of a manuscript to validate and use the model, which clearly hampers a more widespread use and acceptance of modeling in life science research (3).

We would like to invite you for a “Workshop on Theoretical Model Archiving, Validation and PDBx/mmCIF Data Exchange Format” on October 21 & 22, 2013 at Rutgers University, NJ. The first day (Monday) will be dedicated to the development of standards for model data deposition (model archiving) and validation of models for peer-reviewed publications. On the second day, we offer a workshop on the PDBx/mmCIF format, which the wwPDB has established as the new standard format for data exchange and archiving in structural biology. Please feel to register for one or both days according to your interests:

http://www.proteinmodelportal.org/workshop-2013/

We would very much appreciate your input on which information should be captured in a macromolecular model archive for comparative models, de novo predictions, protein-protein docking and virtual screening, and what should be minimal standards for information archiving and validation reports for models published in peer-reviewed publications. Looking forward to meeting you at the workshop!

All the best,

Torsten Schwede & Andrej Sali

PS: Meeting participation is free, but registration is required. Coffee, lunch and dinner on Monday are provided by the organizers. Please make your own arrangements for travel and accommodation.

1) Berman HM, Burley SK, et al. Outcome of a workshop on archiving structural models of biological macromolecules. (2006) Structure. 14:1211-7. 2) http://www.wwpdb.org/news/news.html#20060815 3) Schwede T, Sali A, et al. Outcome of a workshop on applications of protein models in biomedical research. (2009) Structure. 17:151-9.

Prof. Dr. Torsten Schwede Biozentrum Universität Basel & SIB Swiss Institute of Bioinformatics Klingelbergstrasse 50-70 4056 Basel http://www.biozentrum.unibas.ch/schwede/