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TERASCALE QUANTUM SIMULATIONS FOR CHEMICAL BIOLOGY

TERASCALE QUANTUM SIMULATIONS FOR CHEMICAL BIOLOGY
化学生物学的万亿级量子模拟
批准号:
8364240
负责人:
MICHAEL L. KLEIN
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
项目状态:
已结题
起止时间:
2011-09-15 至 2013-07-31

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中文摘要
翻译
这个子项目是利用这些资源的众多研究子项目之一
英文摘要
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. This proposal requests CPU time on TeraGrid computing resources. The proposed research involves the study of two ion channels, Kv and M2, as well as superoxide reductase (SOR) metalloenzymes. The methods used will involve classical molecular dynamics, hybrid quantum mechanics/molecular mechanics (QM/MM), and ab initio calculations. The work proposed here is currently funded by the NIH and NSF.
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TERASCALE QUANTUM SIMULATIONS FOR CHEMICAL BIOLOGY
  • 批准号:
    8171818
  • 项目类别:
  • 资助金额:
    $0.11万
  • 财政年份:
    2010
  • 负责人:
    MICHAEL L. KLEIN
  • 依托单位:
Computer Simulation of Amphiphilic Aggregates
  • 批准号:
    7925093
  • 项目类别:
  • 资助金额:
    $13.8万
  • 财政年份:
    2009
  • 负责人:
    MICHAEL L. KLEIN
  • 依托单位:
TERASCALE QUANTUM SIMULATIONS FOR CHEMICAL BIOLOGY
  • 批准号:
    7956071
  • 项目类别:
  • 资助金额:
    $0.08万
  • 财政年份:
    2009
  • 负责人:
    MICHAEL L. KLEIN
  • 依托单位:
TERASCALE QUANTUM SIMULATIONS FOR CHEMICAL BIOLOGY
  • 批准号:
    7723111
  • 项目类别:
  • 资助金额:
    $0.05万
  • 财政年份:
    2008
  • 负责人:
    MICHAEL L. KLEIN
  • 依托单位:
海外基金