FightMalaria@Home
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FightMalaria@Home | |
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 FightMalaria@Home logo | |
| 无屏保 | |
| 开发者 | Anthony Chubb, UCD
Kevin O'Brien, UCD Alessandra Bianchin, UCD Peter Lavin, TCD Catherine Mooney, UCD Marian Brennan, RCSI Fergal Duffy, UCD Angus Bell, TCD Denis Shields, UCD Bob O'Brien, RCSI Simon Wielens, Fidelity Investment Systems Gianluca Pollastri, UCD Eamonn Kenny, TCD |
| 版本历史 | Microsoft Windows (98 or later) running on an Intel x86-compatible CPU 3.01 2 Dec 2012, 17:54:53 UTC Linux running on an Intel x86-compatible CPU 3.01 2 Dec 2012, 18:00:01 UTC Mac OS 10.4 or later running on Intel 3.01 2 Dec 2012, 18:00:04 UTC |
| 运算平台 |   
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| 项目平台 | BOINC |
| 程序情况 | |
| 任务情况 | |
| 项目状态 | 运行中/开放注册 |
| 项目类别 | 生命科学 |
| 优化程序 | |
| 计算特点 | CPU密集： 是 |
| 官方网址 | FightMalaria@Home |
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About the FightMalaria@Home project
We are developing a distributed computation strategy for docking known hit compounds into models of malarial proteins to build a ranked list of novel targets for further investigation. The main focus is on discovering novel therapeutic drugs. Initially we will screen all hit compounds against all models of plasmodial proteins. This should provide a list of potential new target proteins that will need further investigation and validation in the laboratory. Once these targets have been validated, resources can be focused on finding effective inhibitors and developing new 'first-in-class' drugs. We will need help from many research groups around the world for this important validation step, so all our data will be made freely available online. To answer our first question we will need to perform over 300 million docking calcuilations. This will clearly require staggering computational resources, thus the need to utilise the world’s ‘spare’ idle CPU resources. BOINC is a well established system for donating spare computation time (Sony even distribute BOINC as standard with new VAIO computers). The precedent has been set with fightHIV@home, Africa@home, GoFightAgainstMalaria and many other distributed computation programs. The pieces of the puzzle are readily available, including publicly available proteome information (Integr8), hit lists (MMV, ChEMBL), X-ray crystal structures (PDB), models of malarial proteins using MODELLER or DISTILL, compound libraries (ZINC, PubChem), docking programs (AutoDock VINA, eHiTS), and distributed computing software (BOINC). The challenges now involve connecting these pieces together, and getting the public involved. All data will be made freely available on our website and (hopefully) on the Tropical Diseases Initiative website to help encourage other 'wet-lab' researchers to test the suggested compound-protein interactions and hopefully confirm these novel targets. Many thanks to Aniko Simon of SimBioSys who has customised their eHiTS docking program for the FightMalaria@Home project. Future funding will be sought from charitable organisations such as the Bill and Melinda Gates foundation to validate the compound-target interactions. An added benefit of having available computational power is that we may also be able to suggest potential ligands for previously uncharacterised hypothetical proteins - labelled ‘putative’ in the proteome annotation.
如何加入项目
该项目基于 BOINC 平台，简要的加入步骤如下（已完成的步骤可直接跳过）：
- 下载并安装 BOINC 的客户端软件（官方下载页面或程序下载）
- 点击客户端简易视图下的“Add Project”按钮，或高级视图下菜单中的“工具->加入项目”，将显示向导对话框
- 点击下一步后在项目列表中找到并单击选中 FightMalaria@Home 项目（如未显示该项目，则在编辑框中输入项目网址：http://boinc.ucd.ie/fmah/ ），然后点击下一步
- 输入您可用的电子邮件地址，并设置您在该项目的登录密码（并非您的电子邮件密码）
- 再次点击下一步，如项目服务器工作正常（并且有适合自身操作系统的计算程序），即已成功加入项目
更详细的加入方法说明，请访问 BOINC 新手指南 或 BOINC 使用教程。
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