MOLECULAR DYNAMICS SIMULATIONS OF BIOLOGICAL MACROMOLECULES
MOLECULAR DYNAMICS SIMULATIONS OF BIOLOGICAL MACROMOLECULES
批准号:
3774966
负责人:
B R BROOKS
金额:
$0.0万
依托单位国家:
美国
项目类别:
财政年份:
--
资助国家:
美国
项目状态:
未结题
起止时间:
至
关键词:
HIV envelope protein gp120 RNA directed DNA polymerase X ray crystallography chemical models computer data analysis computer simulation deuterium endopeptidases human immunodeficiency virus 1 intermediate filaments intermolecular interaction lipid bilayer membrane macromolecule major histocompatibility complex model design /development molecular dynamics myoglobin nuclear magnetic resonance spectroscopy physical model protein structure function temperature
中文摘要
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英文摘要
The Molecular Graphics and Simulation section studies problems of
biological significance using several theoretical techniques: molecular
dynamics, molecular mechanics, modeling, ab initio analysis of small
molecule structure, and molecular graphics. These techniques are applied
to a wide variety of macromolecular systems.
Specific projects related to the study of AIDS proteins include:
simulations of HIV-1 reverse transcriptase, analysis of inhibitor binding
to the active site of HIV-1 protease, and investigation of the mechanism
of action of HIV-1 protease.
Other research applied to molecules of biomedical interest uses molecular
dynamics simulations to predict function or structures of peptides and
proteins. Such projects include:
- Modeling Intermediate Filament (IF) Proteins
- Identification of Peptides Which Bind to Human MHC DR1
- Structural Characterization of a Heme:Myoglobin Adduct Using Molecular
Mechanics.
Basic research is underway to provide a better understanding of
macromolecular systems. The projects include studies of:
- Temperature Effects on Protein Dynamics
- The Effects of Hydration on Protein Dynamics
- Molecular Dynamics Simulations on Staphylococcal Nuclease: Comparison
with NMR Data
- Harmonic Analysis of Large Systems
- Modeling and Simulation of the Lipid Bilayers in Crystal and Gel
Phases
- Molecular Dynamics Simulation Studies of DNA: The B-z Junction
- Examining Long-Range Deuterium Isotope Effects in C-13 NMR spectra
- Solvent-Induced Forces Between Two Hydrophobic Groups
- An Examination of Internal Friction in Proteins
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DEVELOPMENT OF THEORETICAL METHODS FOR STUDYING BIOLOGICAL MACROMOLECULES
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批准号:2571577
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项目类别:
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资助金额:$0.0万
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负责人:B R BROOKS
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依托单位:
MOLECULAR DYNAMICS SIMULATIONS OF BIOLOGICAL MACROMOLECULES
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批准号:3752812
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资助金额:$0.0万
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负责人:B R BROOKS
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依托单位:
DEVELOPMENT OF ADVANCED COMPUTER HARDWARE AND SOFTWARE
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批准号:3853645
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项目类别:
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资助金额:$0.0万
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负责人:B R BROOKS
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依托单位:
DEVELOP0MENT OF ADVANCED COMPUTER HARDWARE AND SOFTWARE
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批准号:3774968
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项目类别:
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资助金额:$0.0万
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负责人:B R BROOKS
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依托单位:
GEMM, A PROGRAM FOR MOLECULAR SIMULATIONS AND MOLECULAR GRAPHICS
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批准号:3896409
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项目类别:
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资助金额:$0.0万
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负责人:B R BROOKS
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依托单位:
DEVELOPMENT OF THEORETICAL METHODS FOR STUDYING BIOLOGICAL MACROMOLECULES
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批准号:6161671
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资助金额:$0.0万
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负责人:B R BROOKS
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依托单位:
MOLECULAR DYNAMICS SIMULATIONS OF BIOLOGICAL MACROMOLECULES
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批准号:2571576
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项目类别:
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资助金额:$0.0万
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负责人:B R BROOKS
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依托单位:
GEMMSTAR, A TWO GIGAFLOP COMPUTER FOR MACROMOLECULAR SIMULATIONS
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批准号:3896422
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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:B R BROOKS
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依托单位:
THE STRUCTURE DETERMINATION OF AIDS GLYCOPROTEIN FRAGMENTS
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批准号:3896413
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资助金额:$0.0万
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负责人:B R BROOKS
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依托单位:
THEORETICAL STUDY OF POLYCYCLIC AROMATIC HYDROCARBON-DIOL-EPOXIDE-DNA ADDUCTS
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批准号:3896412
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资助金额:$0.0万
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负责人:B R BROOKS
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依托单位:
THE STRUCTURE OF A DUCTAL CARCINOMA GLYCOPROTEIN T CELL EPITOPE
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批准号:3939827
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项目类别:
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资助金额:$0.0万
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负责人:B R BROOKS
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依托单位:
MOLECULAR DYNAMICS SIMULATIONS OF BIOLOGICAL MACROMOLECULES
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批准号:3838545
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项目类别:
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资助金额:$0.0万
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负责人:B R BROOKS
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依托单位:
MOLECULAR DYNAMICS SIMULATIONS OF BIOLOGICAL MACROMOLECULES
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批准号:3838543
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项目类别:
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资助金额:$0.0万
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负责人:B R BROOKS
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依托单位:
MOLECULAR DYNAMICS SIMULATIONS OF BIOLOGICAL MACROMOLECULES
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批准号:6161670
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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:B R BROOKS
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依托单位:
ANALYSIS AND DESIGN OF VERY HIGH PERFORMANCE COMPUTATIONAL ENGINES
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批准号:3896421
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项目类别:
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资助金额:$0.0万
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负责人:B R BROOKS
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依托单位:
MODELLING AND SIMULATION OF LIPID CRYSTALS AND LIPID BILAYERS
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批准号:3896425
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项目类别:
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资助金额:$0.0万
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负责人:B R BROOKS
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依托单位:
DEVELOPMENT OF NEW THEORETICAL METHODS FOR STUDYING MACROMOLECULES
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批准号:3896408
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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:B R BROOKS
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依托单位:
DEVELOPMENT OF THEORETICAL METHODS FOR STUDYING BIOLOGICAL MACROMOLECULES
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批准号:3774967
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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:B R BROOKS
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依托单位:
DEVELOPMENT OF THEORETICAL METHODS FOR STUDYING BIOLOGICAL MACROMOLECULES
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批准号:5201620
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项目类别:
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资助金额:$0.0万
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负责人:B R BROOKS
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依托单位:
MOLECULAR DYNAMICS SIMULATIONS OF BIOLOGICAL MACROMOLECULES
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批准号:5201619
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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:B R BROOKS
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依托单位:
海外基金