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We have a number of updates and questions for you this week!
Sharing of GC2 Protocols
Some participants have asked for information on other participants'
computational protocols, and we plan to share these, coded by submission
IDs, on the D3R website. If you are
participating anonymously and are concerned that your protocol will
de-anonymize you, please let us know as soon as possible.
Special Issue of JCAMD for your GC2 paper
You are invited to submit a paper about your GC2 calculations to another
special issue of the Journal of Computer-Aided Molecular Design.
(Thanks to editor Terry Stouch!). We anticipate a submission deadline of
June 1, 2017. Instructions for submitting your article are provided here.
Citable DOIs for Datasets
Digital Object Identifiers (DOIs) have been created for the Grand Challenge 2015 datasets and are available on the Datasets page. We are working on DOIs for the GC2 datasets and hope to have them available in time to be cited in your in your JCAMD paper.
Grand Challenge 2 Webinar, March 27
We plan to invite a number of participants to present their experiences
with GC2 and PL-2016-1 at the webinar, with time for Q/A. There will
also be talks by Stephen Burley about Xray structures of protein-ligand
cocrystal structures, and by the experimentalists who generated the
challenge data. The preliminary agenda is posted here.