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SAMPL6 host-guest challenge is now open
- 12:06pm August 24, 2017
- 1996 views
- sampl
We are excited to announce that the SAMPL6 host-guest challenge is now open!
Details and a link to the data package are available at the D3R SAMPL6 page. Note that, unlike in prior challenges, the data package is now being provided via GitHub. This is because the D3R site is being updated, and also to facilitate revision control. If you want to join SAMPL6, please sign up on not only the D3R site, but also the GitHub site (“watch” the repository), to make sure you receive all relevant notifications.
SAMPL Survey
- 01:32pm May 2, 2017
- 1991 views
- d3r, sampl
As you may know, the SAMPL series of blinded prediction challenges focuses on relatively simple, but still difficult, challenges, such as the prediction of hydration free energies, distribution coefficients, host-guest binding affinities, and affinities of small molecules for model binding sites in proteins. SAMPL thus complements D3R, which focus on systems of direct pharmaceutical interest.
Organizers of SAMPL are now developing plans for future challenges and seeking funding to support them. Your input is invited via a brief survey, which is accompanied by a draft roadmap of activities over the next ~5 years.
About
Welcome to the Drug Design Data Resource Community. D3R is funded in part by NIH grant 1U01GM111528 from the National Institute of General Medical Sciences
