wwPDB/CCDC/D3R Ligand Validation Workshop
The inaugural ligand validation meeting brought co-crystal structure determination experts from academe and industry together with X-ray Crystallography and Computational Chemistry software developers to discuss and develop best practices for validation of co-crystal structures; editorial/refereeing standards for publishing co-crystal structures; and recommendations for ligand representation across the archive.
These recommendations have been published:
Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop (2016) Structure 24: 502-508 doi: 10.1016/j.str.2016.02.017
July 2015 wwPDB Ligand Validation Workshop
Center for Integrative Proteomics ResearchRutgers, The State University of New Jersey, Piscataway, NJ
Workshop Co-Organizers:
Stephen K. Burley, M.D., D.Phil.: Director, RCSB Protein Data Bank (RCSB PDB)
Victoria Feher, Ph.D.: Project Scientist, Drug Design Data Resource (D3R)
Colin Groom, Ph.D.: Executive Director, Cambridge Crystallographic Data Center (CCDC)
Gerard Kleywegt, Ph.D.: Head, Protein Data Bank in Europe (PDBe)
John Markley, Ph.D.: Head, BioMagResBank (BMRB)
Haruki Nakamura, Ph.D.: Director, Protein Data Bank Japan (PDBj)
Anthony Nicholls, Ph.D.: President and CEO, Open Eye Scientific