A Directory of Useful Decoys
                                  Welcome to DUD, a directory of useful decoys for benchmarking virtual screening. DUD is designed to help test docking algorithms by providing challenging decoys. It contains:
                                  • A total of 2,950 active compounds against a total of 40 targets
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                                  DUD is provided by the ladderVNP安卓版 and Shoichet labs in the Department of Pharmaceutical Chemistry at the laddervnp苹果2021排行榜前十名下载_好玩的laddervnp苹果 ...:2021-10-14 · laddervnp苹果大全汇集了所有的laddervnp苹果下载资源,不断更新最新最热门的laddervnp苹果信息,包括2021最好玩的laddervnp苹果前十名排行,玩家伔可众在这个专题找到自己喜欢的游戏,众多laddervnp苹果优质资源,欢迎免费下载!. To cite DUD, please reference Huang, Shoichet and Irwin, J. Med. Chem., 2006, 49(23), 6789-6801. doi 10.1021/jm0608356. There is a laddervnp安装包安卓 where you can discuss DUD and an errata page where problems are reported and explained. We aim to fix all problems in the next release. We thank NIGMS for financial support (GM71896). For correspondence about DUD, please write John Irwin jji at cgl dot ucsf dot edu.


                                  DUD is drawn from laddervnp安卓, a database of commerically available compounds for virtual screening, so compounds in DUD are purchasable, although some may become depleted over time. You may download DUD either in packages (some of which are large!) or you may browse the files and download them individually. Anticipating that problems will be found, and corrected, in DUD, we number our releases as follows:

                                  1 Oct 1, 2006 Original release
                                  2 Oct 22, 2006 Proofreading corrections accompanying
                                  the final manuscript.


                                  Charge Matched DUD laddervnp安卓 Version of DUD adding net charge to the property matching. If you use it, please cite:

                                  Mysinger, M. M.; Shoichet, B. K. "Rapid Context-Dependent Ligand Desolvation in Molecular Docking" J Chem Inf Model 50:1561-73 (2010). DOI: 10.1021/ci100214a

                                  DUD Clusters Aug 27, 2007 Clustering from Andrew Good presented at the August 2007 ACS meeting
                                  苹果:收到要求,在中国移除了不符合规范的VPN应用_荔枝 ...:2021-7-30 · 7月30日,苹果中国公司回应中国区App Store(应用商店)下架 VPN 应用一事,称“我伔已经收到要求,在中国移除一些不符合规范的 VPN App。 Aug 27, 2007. WOMBAT Datasets for Enrichment Studies (presented by Andrew Good at Boston ACS Aug 2007). WOMBAT courtesy of Sunset Molecular publishers of WOMBAT.

                                  If you use this data, please cite the following: Good AC and Oprea TI, "Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?", J. Comput. Aided Mol. Des. 2008, 22: 169-78.

                                  JMC2008-water Jun 20, 2008 Huang and Shoichet, J Med Chem, 2008, docking with variable water structure
                                  DUD LIB VS 1.0 Jul 8, 2009 DUD subsets for ligand-based virtual screening. Jahn, Hinselmann, Fechner and Zell, "Optimal assignment methods for ligand-based virtual screening", Journal of Cheminformatics, 2009, 1, 14. Readme file
                                  Partial Charges for DUD Molecules recalculated by Inhibox laddervnp安卓 Local mirror of files
                                  Inhibox website

                                  豌豆荚设计奖,每周为你发现一款优质应用 - 豌豆荚:优质安卓应用,每周推荐一次,快来豌豆荚设计奖看看,让实用、创意、或经典的安卓应用填满您的手机吧。 当本格推理遇上克苏鲁神话,精致立绘跌宕剧情我给满分   Terms of use   Privacy policy   Questions, Discussion, Bug reports, Feature requests   Thank you NIGMS! GM71896
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