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发表于 2010-3-29 01:39:15
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回复 1# 碧城仙
The Scripps Research Institute has just published a study that identifies the existence of new binding sites on HIV protease. Two compounds were found that attach themselves to the new spots on the protease, a feat that was possible thanks to people volunteering their idle computer cycles to FightAIDS@Home. The project utilizes IBM's distributed computing platform, the World Community Grid, to synchronize geographically separate processors to work on a common task.
Scripps研究所在刚刚发布的研究报告里表明,已证实了新的艾滋病毒蛋白酶结合位点的存在.在新的蛋白酶位点上,两个化合物都被发现. 这一功劳,恐怕要感谢那些自愿提供他们电脑的空闲计算时间给FightAIDS@Home项目的人们.这个项目使用IBM的分布式计算平台,World Community Grid,让在地理上处于不同地方的电脑处理器来协同为一个任务工作.
IBM reports:
IBM报告:
Utilizing computing power from 1.5 million devices networked through IBM's World Community Grid, the new sites on the HIV protease are being used as docking targets for virtual screening experiments, in order to guide the development of these chemical compounds into a new class of potent HIV inhibitors. Using the massive computational resources of the World Community Grid, the FightAIDS@Home team has already docked over 500,000 compounds against these newly characterized binding sites.
通过IBM的World Community Grid平台,利用来自联网的一千五百万台电脑组成的运算能力, HIV蛋白酶的新位点已经被用于在虚拟筛选实验里作为对接靶位,以指导这些化合物的开发,制造出新一级的HIV有效抑制剂.World Community Grid 利用这强大的计算资源,FightAIDS@Home团队已经在这些新特征的结合点上结合了超过五十万种化合物.
By aggregating the unused cycle time of 1.5 million personal computers donated by volunteers in over 80 countries, World Community Grid is now the world's largest public humanitarian grid, equivalent in power to a Top 15 supercomputer, and crunched more than 107,000 years of computational time in just 5 years for the Scripps Research Institute project, providing more than 104 million calculations.
通过集合超过80个国家的志愿者的一百五十万台个人电脑上所提供的空闲计算时间, World Community Grid 成为当今世界上最大的公众人道主义网格,其计算能力上相当于一台位列全球前15位的超级计算机,在5年里提供了超过相当于Scripps研究所现有计算能力十万七千年的计算时间,完成了超过十亿零四百万次计算.
Once the HIV virus enters a human cell, it uses a small set of proteins called enzymes to force the cell to produce many new copies of itself, which then go on to infect other cells. Most HIV drugs work by blocking the operation of one or more of these enzymes. In the current work, the Scripps researchers are looking for new compounds that will stabilize the inhibited conformation, or shape, of the HIV protease enzyme, and thus help stop the virus from replicating. Because HIV mutates so frequently, some drugs that inhibit the enzyme from replicating are no longer working, or are not working as effectively. By running calculations on the World Community Grid FightAIDS@Home project, the team at Scripps is trying to develop new drugs that bind to more parts of the mutant enzyme, thereby shutting it down more effectively.
当HIV病毒进入人的细胞,它用一系列被称为酶的小蛋白质来迫使细胞来生产众多它自己的复制品,然后它们再去感染其他细胞. 绝大多数HIV药物的功效是阻止这些酶的一个或多个功能. Scripps的研发人员,当前的工作是在寻找新的化合物来稳定HIV蛋白酶在被抑制状态的构造或形状,这有助于中断病毒的自我复制.由于HIV病毒突变太频繁,一些药物在病毒复制过程中抑制酶的效果并不长久,或根本没有了效果. 通过运行在 World Community Grid平台上的FightAIDS@Home项目, Scripps开发团队正在努力开发新药物以能在这种突变的酶上结合更多的部分,从而更加有效地关闭它的功能. |
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