Working Towards Federating Structural Models and Data

Friday, March 1, 8:30 AM - 8:00 PM
Room 301/302, Baltimore Convention Center

Pre-Registration is closed. Registration will be accepted on-site.

To register, please complete the form and return it to [email protected] Pre-Registration Deadline is January 28, 2019.

Structural characterization of complex biomolecular systems increasingly relies on novel integrative modeling methods that combine data from various experimental and computational techniques. This Workshop will focus on an initiative to create an interoperating network of structural biology model and data repositories to enable the archiving of integrative structural models and associated experimental data. This effort follows the recommendations of the wwPDB Hybrid/Integrative Methods Task Force (

The goals of the Workshop are to:

  • Outline the issues involved in developing and maintaining data standards in the different communities 
  • Outline the issues involved in efficient standards based data exchange among the network of structural biology model and data repositories 
  • Make a plan for how best to address the recommendations for data standards and data exchange 
  • Create a process for sustained communication among different communities 
  • Prepare for writing a white paper summarizing the outcome of the Workshop  

As a wwPDB activity, our goal is to facilitate the continued development and usage of the current PDB-Dev repository for integrative models (, so that the integrative structures archived in PDB-Dev can ultimately become part of the PDB. To do this, we need to define the mechanisms by which all experimental methods used by integrative modeling can be federated with the PDB. This workshop will help create a path to achieve this goal.

Funding: The meeting is funded by NSF award 1838628


8:30 AM Registration
8:45 AM - 9:00 AM Introduction
Helen Berman, Rutgers, The State University of New Jersey
9:00 AM - 9:15 AM Status Report on Integrative Model Archiving
Brinda Vallat, Rutgers, The State University of New Jersey
9:15 AM - 10:45 AM Panel on Model Representation, Visualization, and Validation
Chair: Andrej Sali, University of California, San Francisco
Participants: Alexandre Bonvin, Frank DiMaio, Gerhard Hummer, Jens Meiler, Emad Tajkhorshid
10:45 AM - 11:00 AM Coffee Break
11:00 AM - 1:00 PM Panel on Community Data Standards
Chair: Jill Trewhella, University of Sydney and University of Utah
Participants: Cathy Lawson, Gaetano Montelione, Juri Rappsilber, Alex Leitner, Thomas Prisner, David Schriemer, Claus Seidel, Dmitri Svergun, John Westbrook
1:00 PM - 1:40 PM Lunch
1:40 PM - 2:00 PM Vision for the PDB in 2021
Sameer Velankar, EMBL-EBI
2:00 PM - 4:00 PM Breakout Discussion Groups
1. Standards
2. Data Exchange
3. Requirements for Validating Data and Models
4:00 PM - 5:00 PM Report Writing
5:00 PM - 6:00 PM         Report Out to Full Group and Conclusion for Open Registrants
6:30 PM - 8:30 PM Dinner at Phillips Seafood for Invited Guests (Discussion of Future Funding Opportunities)