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World Community Grid Forums
Category: Completed Research
Forum: OpenZika
Thread: OpenZika - Crunching Chart |
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Thread Status: Active Total posts in this thread: 74
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Dayle Diamond
Senior Cruncher Joined: Jan 31, 2013 Post Count: 450 Status: Offline Project Badges: 
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Experiment 3A = Virtual Screening against the NS1 class (first to fifth binding site)
Glycoprotein NS1, present in all flaviviruses, appears to be essential for virus viability. This protein contains two conserved N-glycosylation sites and 12 invariant cysteine residues. The dockings were performed for five binding sites. 95989 – 96046 Drugs_and_Leads_FromPrestwick_MicroSourceSpectrum_FDA_and_NIHclinicalCollection 96047 – 109676 Enamine_Full_Library 109677 – 118434 Vitas-M Labs_Full_Library 118435 – 124350 ChemBridge_Full_Library 124351 – 127308 Asinex_Full_Library 127309 – 129164 NCI_Full_Library 129165 – 131136 Otava_Full_Library (note: now has 10,000 ligands/batch) |
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enels
Senior Cruncher Joined: Apr 25, 2008 Post Count: 286 Status: Offline Project Badges: 
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On the research page, OpenZika now has a six month Estimated completion date of April 2017.
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KLiK
Master Cruncher Croatia Joined: Nov 13, 2006 Post Count: 3108 Status: Offline Project Badges: 
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On the research page, OpenZika now has a six month Estimated completion date of April 2017. last ECD was 15.04.2017, check here: https://secure.worldcommunitygrid.org/forums/wcg/viewpostinthread?post=531960  so it might be of 5d on 6m scale - I'm glad it's not so much! let's prepare for beginning of the Apr 2017 for OZ...unless there's some more "known compounds added"!  |
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Dayle Diamond
Senior Cruncher Joined: Jan 31, 2013 Post Count: 450 Status: Offline Project Badges:
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Experiment 2D = Virtual Screening against the NS3 class (new crystallographic proteins)
New NS3 helicase crystallographic structures were solved (PDB ID: 5K8L, 5K8I, 5K8U, 5K8T). The dockings were performed for both binding sites. Libraries Targets 146287 – 146320 Drugs_and_Leads_FromPrestwick_MicroSourceSpectrum_FDA_and_NIHclinicalCollection 146321 – 154310 Enamine_Full_Library 154311 – 159444 Vitas-M Labs_Full_Library 159445 – 162912 ChemBridge_Full_Library 162913 – 164646 Asinex_Full_Library 164647 – 165734 NCI_Full_Library 165735 – 166890 Otava_Full_Library (note: now has 10,000 ligands/batch) |
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