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
- 电脑免费网页加速器:2021-6-12 · 航力滚珠丝杆升降机工作好伙伴 德州航力减速机有限公司制造的滚珠丝杆升降机，集混合式步进电机和精密梯形丝杠于一身.且外形紧凑.精密设计,结构紧凑,功能强大,安静高效，选择晟联就选择了好的服务，晟联人众诚信经营，优质服务，互利共赢，为企业销售经营理念为客户打造高品质高质量产...
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.
vnp苹果百度网盘
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:
| Release | Date | Comments |
|---|
| 1 | Oct 1, 2006 |
Original release |
| 2 |
Oct 22, 2006 |
Proofreading corrections accompanying
the final manuscript. |
vnp苹果百度网盘
| 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
|
|
