DUD-E A Database of Useful Docking Decoys Enhanced
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D4 dopamine receptor high-resolution structures enable the discovery of selective agonists. Discovery of new GPCR ligands to illuminate new biology. BL Roth, JJ Irwin, BK Shoichet, Nature Chem. In silico design of novel probes for the atypical opioid receptor MRGPRX2. K Lansu, J Karpiak, et al. Structure-based discovery of opioid analgesics with reduced side effects. A Manglik, H Lin, D Aryal, et al. H Lee, M Fischer, .
University of California, San Francisco. ZINC is a free database of commercially-available compounds for virtual screening. ZINC contains over 35 million purchasable compounds in ready-to-dock, 3D formats. DOCK Blaster is a public access service for structure-based ligand discovery.
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DUD-E A Database of Useful Docking Decoys EnhancedDESCRIPTION
A Database of Useful Decoys Enhanced. Welcome to DUDE. An enhanced and rebuilt version of DUD, a directory of useful decoys. DUD-E is designed to help benchmark molecular docking programs by providing challenging decoys. It contains. 22,886 active compounds and their affinities against 102 targets, an average of 224 ligands per target. 50 decoys for each active having similar physico-chemical properties but dissimilar 2-D topology. DUD-E is a collaboration of the Irwin. To cite DUD-E, please reference.PARSED CONTENT
The web site dude.docking.org states the following, "A Database of Useful Decoys Enhanced." I noticed that the website also said " An enhanced and rebuilt version of DUD, a directory of useful decoys." They also said " DUD-E is designed to help benchmark molecular docking programs by providing challenging decoys. 22,886 active compounds and their affinities against 102 targets, an average of 224 ligands per target. 50 decoys for each active having similar physico-chemical properties but dissimilar 2-D topology. DUD-E is a collaboration of the Irwin. To cite DUD-E, please reference."SEE SIMILAR WEBSITES
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Adam Marci Isiac Henry Quinn Cannon. Wednesday, August 24, 2011. 4th grade for Isiac, and one of the sadder days for Quinn. He is just too buff for that. Off to school, wishing he was on the bus. But, he got a Chucky Greasy Cheese day to. Make up for it with his Daddy! All day Kindergarten rocks! Family Reunion, sad.
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Wednesday, March 6, 2013. How awesome are my kids? Thursday, August 23, 2012. It was a famous couples theme. Prince William and Kate Middleton. Audrey Hepburn and Carey Grant. Some of my favorites from Summer. We had so much fun getting visits from some of our favorite people this summer! Wednesday, August 22, 2012.