首页> 外文OA文献 >SwissDock, a protein-small molecule docking web service based on EADock DSS
【2h】

SwissDock, a protein-small molecule docking web service based on EADock DSS

机译:SwissDock,基于EADock DSS的蛋白质小分子对接Web服务

代理获取
本网站仅为用户提供外文OA文献查询和代理获取服务,本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文,但由于OA文献来源多样且变更频繁,仍可能出现获取不到、文献不完整或与标题不符等情况,如果获取不到我们将提供退款服务。请知悉。

摘要

Most life science processes involve, at the atomic scale, recognition between two molecules. The prediction of such interactions at the molecular level, by so-called docking software, is a non-trivial task. Docking programs have a wide range of applications ranging from protein engineering to drug design. This article presents SwissDock, a web server dedicated to the docking of small molecules on target proteins. It is based on the EADock DSS engine, combined with setup scripts for curating common problems and for preparing both the target protein and the ligand input files. An efficient Ajax/HTML interface was designed and implemented so that scientists can easily submit dockings and retrieve the predicted complexes. For automated docking tasks, a programmatic SOAP interface has been set up and template programs can be downloaded in Perl, Python and PHP. The web site also provides an access to a database of manually curated complexes, based on the Ligand Protein Database. A wiki and a forum are available to the community to promote interactions between users. The SwissDock web site is available online at http://www.swissdock.ch. We believe it constitutes a step toward generalizing the use of docking tools beyond the traditional molecular modeling community
机译:大多数生命科学过程都涉及原子级的两个分子之间的识别。通过所谓的对接软件在分子水平上预测这种相互作用是一项艰巨的任务。对接程序具有从蛋白质工程到药物设计的广泛应用。本文介绍SwissDock,这是一种专用于小分子与靶蛋白对接的Web服务器。它基于EADock DSS引擎,结合了用于解决常见问题以及准备目标蛋白质和配体输入文件的设置脚本。设计并实现了有效的Ajax / HTML界面,以便科学家可以轻松提交对接并检索预测的复合体。对于自动对接任务,已设置了编程SOAP接口,并且可以使用Perl,Python和PHP下载模板程序。该网站还基于配体蛋白质数据库提供对手动管理的复合物数据库的访问。社区可以使用Wiki和论坛来促进用户之间的交互。 SwissDock网站可在线访问http://www.swissdock.ch。我们认为,这是朝着超越传统分子建模社区推广对接工具的使用迈出的一步

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
代理获取

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号