SOLVENT EFFECTS IN A MULTI-DOMAIN PROTEIN SYSTEM
SOLVENT EFFECTS IN A MULTI-DOMAIN PROTEIN SYSTEM
批准号:
7723145
负责人:
H-Y KIM
金额:
$0.05万
依托单位国家:
美国
项目类别:
财政年份:
2008
资助国家:
美国
项目状态:
已结题
起止时间:
2008-08-01 至 2009-07-31
中文摘要
这个子项目是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. The subproject and
investigator (PI) may have received primary funding from another NIH source,
and thus could be represented in other CRISP entries. The institution listed is
for the Center, which is not necessarily the institution for the investigator.
We calculate a potential of mean force as a distance of two centers of masses of two domains in a protein PDC-109. We use a thermodynamic integration with 3000 water molecules in a periodic boundary condition. To compare between explicit and implicit model results, we also implement two implicit model calculations using a generelized Born and Poisson-Boltzmann methods. Considering the effect of different orientations of one domain, we conduct PMF calculations in different cases.
期刊论文(0)
专著(0)
科研奖励(0)
会议论文
DOMAIN-LIGAND BINDING FREE ENERGY CALCULATIONS ON PDC109, A TWO-DOMAIN PROTEIN
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批准号:8364321
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项目类别:
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资助金额:$0.11万
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财政年份:2011
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负责人:H-Y KIM
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依托单位:
DOMAIN-LIGAND BINDING FREE ENERGY CALCULATIONS ON PDC109, A TWO-DOMAIN PROTEIN
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批准号:8171937
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项目类别:
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资助金额:$0.11万
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财政年份:2010
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负责人:H-Y KIM
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依托单位:
A MOLECULAR DYNAMICS STUDY OF CLOSED CONFORMATIONAL STRUCTURE OF HUMAN PLASMINO
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批准号:7956272
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项目类别:
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资助金额:$0.08万
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财政年份:2009
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负责人:H-Y KIM
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依托单位:
A MOLECULAR DYNAMICS STUDY OF CLOSED CONFORMATIONAL STRUCTURE OF HUMAN PLASMINO
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批准号:7723269
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项目类别:
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资助金额:$0.05万
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财政年份:2008
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负责人:H-Y KIM
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依托单位:
A MOLECULAR DYNAMICS STUDY OF CLOSED CONFORMATIONAL STRUCTURE OF HUMAN PLASMINO
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批准号:7723413
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项目类别:
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资助金额:$0.05万
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财政年份:2008
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负责人:H-Y KIM
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依托单位:
A MOLECULAR DYNAMICS STUDY OF CLOSED CONFORMATIONAL STRUCTURE OF HUMAN PLASMINO
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批准号:7601532
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项目类别:
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资助金额:$0.03万
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财政年份:2007
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负责人:H-Y KIM
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依托单位:
SOLVENT EFFECTS IN A MULTI-DOMAIN PROTEIN SYSTEM
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批准号:7181760
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项目类别:
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资助金额:$0.1万
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财政年份:2004
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负责人:H-Y KIM
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依托单位:
DETERMINATION OF NEUROSTEROIDS IN HUMAN CEREBROSPINAL FLUID
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批准号:5200241
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项目类别:
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资助金额:$0.0万
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财政年份:--
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负责人:H-Y KIM
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依托单位:
ALTERATIONS IN LIPID METABOLISM IN THE NERVOUS SYSTEM BY ETHANOL
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批准号:5200253
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项目类别:
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资助金额:$0.0万
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财政年份:--
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负责人:H-Y KIM
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依托单位:
海外基金