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发表于 2020-4-9 02:35:09
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本帖最后由 牵牛星 于 2020-4-9 02:37 编辑
项目前天开始内测,即将进入beta阶段,耐心等待吧Hello,
I want to update everyone that we have started Alpha testing against the actual COVID-19 target. We have a sample set of small ligands to compare against COVID-19. This Alpha testing is on devices that are owned by members of the World Community Grid team. We are doing this to help give us an idea if the binaries work well and the work units do not crash. So far things are looking well as we work through issues. Alpha testing will hopefully be short, but one of the things we are testing is work unit sizing as different ligands take different times to complete, sometimes exponentially. We are getting a larger subset of ligands to test on Alpha later today to help with the sizing problem.
Thanks again for your interest and look forward to a BETA soon :P
-Uplinger Beta testing: no estimate yet of when this will begin, but we'll post in the main announcement thread when it does.
Compound libraries: the Scripps team plans to screen compounds from several libraries, including the ZINC database. The total number of compounds to be screened is expected to be in the millions.
Research method: the project will use the same version of AutoDock previously used on other drug docking projects such as FightAIDS@Home - Phase 1, but will also leverage a new reactive docking protocol.
Open data: in line with our open data policy, both the data generated and the tools developed for this project will be made available to the entire scientific community.
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