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transformable    
a. 可变形的,可变化的

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  • DUD-E: A Database of Useful (Docking) Decoys — Enhanced
    Raw Clustered Exp Decoys AUC Log AUC; Enrichment: 0: 0: 0: 0: Downloads tar gz Browse For an explanation of what these files are, please see the DUDE wiki page P00533
  • SimLif DUD-E - GitHub
    Why DUD-E should ensure that decoys and ligands are not similar？ 2-D chemical dissimilarity filter to prevent decoys from being active
  • DUDE - DISI - docking. org
    DUD-E is an enhanced and rebuilt version of DUD 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
  • DUD-E - Database Commons - National Genomics Data Center
    DUD-E is 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
  • DUD - A Directory of Useful Decoys - docking. org
    Why is the ratio of decoys to annotated ligands described as 36 to 1 in the paper, yet there are on average only 33 to 1 in DUD? This is due to overlap, as the same decoy could be used for multiple targets, particularly in the kinase class where there was so much overlap
  • All Targets | DUD-E: A Database of Useful (Docking) Decoys — Enhanced
    DUD-E contains 102 targets, including 38 of the original 40 DUD targets Here, you may browse the target and download files by clicking on its gene name, or sort by a column by clicking on its title To download all of DUD-E, please use the Download Subsets tab To make your own decoys, use the Generate tab
  • DUD-E README. md at main · SimLif DUD-E - GitHub
    Contribute to SimLif DUD-E development by creating an account on GitHub
  • 用数据融合增强分子对接的虚拟筛选性能 - 墨灵格的博客
    在dud-e的egfr这个子集上，lf cnn vs与cnn_vs在ebedroc与ef等关键的虚拟筛选性能指标上与文献报道的glide sp表现出相似的性能。 此外，GNINA的CNNscore也可以直接用来作为对接后处理的过滤器，在本文中，将CNNscore小于0 7的Pose过滤，可以显著地提供虚拟筛选的早期富集能力。
  • DUD - DISI - docking. org
    DUD is designed to help test docking algorithms by providing challenging decoys DUD is drawn from ZINC, a database of commerically available compounds for virtual screening, so compounds in DUD are purchasable, although some may become depleted over time It contains: A total of 2,950 active compounds against a total of 40 targets
  • DUD-E: A Database of Useful (Docking) Decoys — Enhanced
    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





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