查看“FightMalaria@Home”的源代码

{{Infobox Project
| name =FightMalaria@Home
| logo =
| screenshot =无
| caption =BOINC计算平台的运行界面
| developer =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
| released =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
| operating system ={{App/Windows}}{{App/Mac}}{{App/Linux}}
| platform =[[BOINC]]
| program info =
| work unit info =
| status =运行中/开放注册
| genre ={{genre/生命科学}}
| optimization =
| CPU intensive =
| GPU Computing =
| zeroshare =
| website =http://boinc.ucd.ie/fmah/
| rss =http://www.fight-malaria.org/
}}

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.

{{JoinBoincProject
|Project=FightMalaria@Home
|URL=http://boinc.ucd.ie/fmah/
}}

{{BOINC topics}}