FOLDING@HOME: SIMULATING PROTEIN FOLDING WITH MASSIVELY PARALLEL DISTRIBUTED CO
FOLDING@HOME:使用大规模并行分布式 CO 模拟蛋白质折叠
基本信息
- 批准号:8364247
- 负责人:
- 金额:$ 0.11万
- 依托单位:
- 依托单位国家:美国
- 项目类别:
- 财政年份:2011
- 资助国家:美国
- 起止时间:2011-09-15 至 2013-07-31
- 项目状态:已结题
- 来源:
- 关键词:AlgorithmsAmino Acid SequenceBiomedical ResearchCommunitiesDataData SetDatabasesFundingGrantHigh Performance ComputingHome environmentNational Center for Research ResourcesPeptide Sequence DeterminationPrincipal InvestigatorProteinsResearchResearch InfrastructureResourcesRestSimulateSourceStructureSystemTimeUnited States National Institutes of HealthWorkcluster computingcostdata miningmillisecondprotein foldingresearch study
项目摘要
This subproject is one of many research subprojects utilizing the resources
provided by a Center grant funded by NIH/NCRR. Primary support for the subproject
and the subproject's principal investigator may have been provided by other sources,
including other NIH sources. The Total Cost listed for the subproject likely
represents the estimated amount of Center infrastructure utilized by the subproject,
not direct funding provided by the NCRR grant to the subproject or subproject staff.
Using distributed computing algorithms and a network of 100,000 CPUs (the "Folding@Home" project), we have studied dynamics of small proteins on the ten of microseconds to millisecond timescale. In particular, we have been able to, for the first time, simulate the folding of small proteins in all atom detail starting purely from the protein`s sequence. Moreover, we have been able to predict the structure of these small proteins as well as the folding rate, and these predictions have quantitatively agreed with experiment. PSC is the main data repository for Folding@Home data. We are working with PSC to eventually host this data for the rest of the community to study and data mine. This woul further leverage the work of these 100,000 CPUs, benefiting the research of several other groups as well. Since this data set is very large (terabytes), this is something which requires PSC`s data infrastructure and backup systems.
这个子项目是许多利用资源的研究子项目之一
由NIH/NCRR资助的中心拨款提供。子项目的主要支持
而子项目的主要调查员可能是由其他来源提供的,
包括其它NIH来源。 列出的子项目总成本可能
代表子项目使用的中心基础设施的估计数量,
而不是由NCRR赠款提供给子项目或子项目工作人员的直接资金。
使用分布式计算算法和100,000个CPU的网络(“Folding@Home”项目),我们研究了小蛋白质在10微秒到毫秒时间尺度上的动力学。特别是,我们已经能够,第一次,完全从蛋白质的序列开始,在所有原子细节上模拟小蛋白质的折叠。此外,我们已经能够预测这些小蛋白质的结构以及折叠速率,这些预测与实验定量一致。PSC是Folding@Home数据的主要数据存储库。我们正在与PSC合作,最终将这些数据托管给社区的其他人进行研究和数据挖掘。这将进一步利用这10万个CPU的工作,也有利于其他几个小组的研究。由于该数据集非常大(TB),因此需要PSC的数据基础设施和备份系统。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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{{ truncateString('VIJAY S PANDE', 18)}}的其他基金
Computation and Repurposing to identfy antivirals directed against dominant
计算和重新利用以确定针对显性病毒的抗病毒药物
- 批准号:
8643867 - 财政年份:2014
- 资助金额:
$ 0.11万 - 项目类别:
LONG TIME SIMULATIONS OF PROTEIN FOLDING: A SYNERGISTIC APPROACH
蛋白质折叠的长时间模拟:协同方法
- 批准号:
8364333 - 财政年份:2011
- 资助金额:
$ 0.11万 - 项目类别:
FOLDING@HOME: SIMULATING PROTEIN FOLDING WITH MASSIVELY PARALLEL DISTRIBUTED CO
FOLDING@HOME:使用大规模并行分布式 CO 模拟蛋白质折叠
- 批准号:
8171825 - 财政年份:2010
- 资助金额:
$ 0.11万 - 项目类别:
FOLDING@HOME: SIMULATING PROTEIN FOLDING WITH MASSIVELY PARALLEL DISTRIBUTED CO
FOLDING@HOME:使用大规模并行分布式 CO 模拟蛋白质折叠
- 批准号:
7956078 - 财政年份:2009
- 资助金额:
$ 0.11万 - 项目类别:
MOLECULAR DYNAMICS SIMULATION OF VESICLE FUSION MECHANISMS
囊泡融合机制的分子动力学模拟
- 批准号:
7723184 - 财政年份:2008
- 资助金额:
$ 0.11万 - 项目类别:
FOLDING@HOME: SIMULATING PROTEIN FOLDING WITH MASSIVELY PARALLEL DISTRIBUTED CO
FOLDING@HOME:使用大规模并行分布式 CO 模拟蛋白质折叠
- 批准号:
7723118 - 财政年份:2008
- 资助金额:
$ 0.11万 - 项目类别:
FOLDING@HOME: SIMULATING PROTEIN FOLDING WITH MASSIVELY PARALLEL DISTRIBUTED CO
FOLDING@HOME:使用大规模并行分布式 CO 模拟蛋白质折叠
- 批准号:
7601290 - 财政年份:2007
- 资助金额:
$ 0.11万 - 项目类别:
MOLECULAR DYNAMICS SIMULATION OF VESICLE FUSION MECHANISMS
囊泡融合机制的分子动力学模拟
- 批准号:
7601433 - 财政年份:2007
- 资助金额:
$ 0.11万 - 项目类别:
FOLDING@HOME: SIMULATING PROTEIN FOLDING WITH MASSIVELY PARALLEL DISTRIBUTED CO
FOLDING@HOME:使用大规模并行分布式 CO 模拟蛋白质折叠
- 批准号:
7181648 - 财政年份:2004
- 资助金额:
$ 0.11万 - 项目类别:
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