课题基金 / 基金详情

THERMODYNAMICS OF PROTEIN-DNA & LIGAND-DNA COMPLEXES

THERMODYNAMICS OF PROTEIN-DNA & LIGAND-DNA COMPLEXES
蛋白质-DNA 的热力学
批准号：
6053609
负责人：
PETER A KOLLMAN
金额：
$3.56万
依托单位：
UNIVERSITY OF CALIFORNIA, SAN FRANCISCO
依托单位国家：
美国
项目类别：
财政年份：
2000
资助国家：
美国
项目状态：
已结题
起止时间：
2000-02-01 至 2003-01-31
来源：
https://reporter.nih.gov/project-details/6053609
关键词：
DNA DNA binding protein Poland actinomycin aminoacridines bioenergetics chemical binding computer simulation endodeoxyribonuclease enzyme substrate complex intermolecular interaction ligands mathematical model model design /development molecular dynamics molecular shape netropsin protein binding protein structure thermodynamics

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中文摘要
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英文摘要
The goal of this project is to develop and apply computational methods to reproduce, understand and predict structural and thermodynamical aspects of molecular recognition in the EcoRV enzyme-DNA and the small ligand-DNA complexes. We will use this methodology with a protein (EcoRV) interacting with DNA and small ligands: actinomycin, acridine, netropsin, furimidazoline. We will use the available experimental data on these systems as a critical guideline to evaluate the theory. Understanding recognition in the systems proposed here, especially in the EcoRV-DNA complex, will further the long term goal of the parent NIH grant, which is to make the computer approaches reliable and truly predictive in order to use them as an important tool in understanding molecular interactions as well as in the drug design process.
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SIMULATION OF COMPLEX MOLECULAR SYSTEMS
  • 批准号：
    8364239
  • 项目类别：
  • 资助金额：
    $0.11万
  • 财政年份：
    2011
  • 负责人：
    PETER A KOLLMAN
  • 依托单位：
    CARNEGIE-MELLON UNIVERSITY
Collaboration work with AMBER
COLLABORATION WORK WITH AMBER
NON COVALENT INTERACTIONS IN MOLECULAR DESIGN & PROTEIN FOLDING
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