FREE ENERGY ANALYSIS OF ESTEROLYTIC ANTIBODY HAPTEN COMPLEXES
FREE ENERGY ANALYSIS OF ESTEROLYTIC ANTIBODY HAPTEN COMPLEXES
批准号:
6456828
负责人:
YONG DUAN
金额:
$27.32万
依托单位国家:
美国
项目类别:
财政年份:
2001
资助国家:
美国
项目状态:
已结题
起止时间:
2001-07-01 至 2003-08-31
中文摘要
我们正在使用分子动力学和连续溶剂方法
英文摘要
We are using molecular dynamics and continuum solvent methods to
gain insight into the difference in the binding free energies of the
mature and germinal antibody complexes. The esterolytic antibody 48G7
binds its phosphonate hapten 31,000 times more tightly than its
germline antibody. The mature antibody contains nine amino acids that
are different from the corresponding amino acids in the germline
molecule. None of these somatic mutations contact the hapten. The
molecular visualization software packages offered by the Computer
Graphics Laboratory (i.e., MidasPlus) have been useful tools for the
research.
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TOWARD UNDERSTANDING AMYLOIDO ALL-ATOM MOLECULAR DYNAMICS SIMUALTIONS OF AM
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批准号:8364238
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项目类别:
-
资助金额:$0.11万
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财政年份:2011
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负责人:YONG DUAN
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依托单位:
TOWARD UNDERSTANDING AMYLOIDO ALL-ATOM MOLECULAR DYNAMICS SIMUALTIONS OF AM
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批准号:7956110
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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:YONG DUAN
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依托单位:
AMBER force field consortium: a coherent biomolecular simulation platform
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批准号:7931222
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项目类别:
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资助金额:$29.42万
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财政年份:2009
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负责人:YONG DUAN
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依托单位:
TOWARD UNDERSTANDING AMYLOIDO ALL-ATOM MOLECULAR DYNAMICS SIMUALTIONS OF AM
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批准号:7723171
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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:YONG DUAN
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依托单位:
AMBER force field consortium: a coherent biomolecular simulation platform
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批准号:7321186
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项目类别:
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资助金额:$62.31万
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财政年份:2007
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负责人:YONG DUAN
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依托单位:
AMBER force field consortium: a coherent biomolecular simulation platform
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批准号:7683012
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项目类别:
-
资助金额:$55.62万
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财政年份:2007
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负责人:YONG DUAN
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依托单位:
AMBER force field consortium: a coherent biomolecular simulation platform
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批准号:7915262
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项目类别:
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资助金额:$55.17万
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财政年份:2007
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负责人:YONG DUAN
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依托单位:
DECIPHERING HISTONE CODE BY COMPUTER SIMULATIONS
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批准号:7601415
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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:YONG DUAN
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依托单位:
AMBER force field consortium: a coherent biomolecular simulation platform
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批准号:7497004
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项目类别:
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资助金额:$55.52万
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财政年份:2007
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负责人:YONG DUAN
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依托单位:
TOWARD UNDERSTANDING AMYLOIDOSIS: ALL-ATOM MOLECULAR DYNAMICS SIMUALTIONS OF AM
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批准号:7601390
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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:YONG DUAN
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依托单位:
All-Atom Molecular Dynamics Simulations of Folding of Small Proteins and Peptid
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批准号:6980063
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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:2004
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负责人:YONG DUAN
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依托单位:
Application of physics-based all-atom force field in protein
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批准号:6980092
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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:2004
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负责人:YONG DUAN
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依托单位:
COBRE: UDE BIOCHEM: COMPUTATIONAL & EXPERIMENT APPROACH
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批准号:7011795
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项目类别:
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资助金额:$26.63万
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财政年份:2004
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负责人:YONG DUAN
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依托单位:
ALL-ATOM MOLECULAR DYNAMICS SIMULATIONS OF FOLDING OF SMALL PROTEINS AND PEPTID
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批准号:7181625
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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:YONG DUAN
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依托单位:
Toward experimental quality protein structures: a synergistic approach
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批准号:7584457
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项目类别:
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资助金额:$35.98万
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财政年份:2003
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负责人:YONG DUAN
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依托单位:
All-atom models of peptide folding
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批准号:6682953
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项目类别:
-
资助金额:$26.12万
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财政年份:2003
-
负责人:YONG DUAN
-
依托单位:
All-atom models of peptide folding
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批准号:7087750
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项目类别:
-
资助金额:$22.19万
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财政年份:2003
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负责人:YONG DUAN
-
依托单位:
Toward experimental quality protein structures: a synergistic approach
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批准号:8075039
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项目类别:
-
资助金额:$34.99万
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财政年份:2003
-
负责人:YONG DUAN
-
依托单位:
Toward experimental quality protein structures: a synergistic approach
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批准号:8269039
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项目类别:
-
资助金额:$35.07万
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财政年份:2003
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负责人:YONG DUAN
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依托单位:
All-atom models of peptide folding
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批准号:6913573
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项目类别:
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资助金额:$26.18万
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财政年份:2003
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负责人:YONG DUAN
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依托单位:
海外基金