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Studies of macromolecular crowding

Studies of macromolecular crowding
大分子拥挤的研究
批准号：
7733993
负责人：
Allen P Minton
金额：
$21.88万
依托单位：
NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES
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
来源：
https://reporter.nih.gov/project-details/7733993
关键词：
BehaviorBiologicalComplexCrowdingDrug FormulationsElementsGoalsIndividualLiquid substanceMethodsModelingNatureProteinsPublishingSolutionsSystemTechniquesTheoretical modelThermodynamicsTimeTracerWorkbaseimprovedmacromoleculemolecular dynamicsparticletheories

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中文摘要
翻译
我们正试图改进我们之前发表的大分子拥挤对蛋白质缔合和异构化影响的理论模型。目前的工作集中在含有任意体积分数的“Crowder”硬质颗粒的流体中，两个“示踪剂”硬质颗粒之间的平均作用力势的统计热力学公式。这不是一个解析可解的问题，我们正在尝试各种近似技术，以便得出一个健壮的解决方案，而不是严重依赖于模型公式中所做的近似的性质。我们计划将理论模型的结果与蒙特卡罗和/或分子动力学模拟的结果进行比较。
英文摘要
We are attempting to improve our previously published theoretical models of the effect of macromolecular crowding upon protein associations and isomerizations. Current work focuses on the statistical-thermodynamic formulation of a potential of average force acting between two "tracer" hard particles in a fluid containing an arbitary volume fraction of "crowder" hard particles. This is not an analytically soluble problem, and we are trying a variety of approximate techniques in order to arrive at a robust solution that is not critically dependent upon the nature of the approximations made in the formulation of the model. We plan to compare the results of the theoretical models with the results of Monte Carlo and/or molecular dynamics simulation.
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Noncovalent Intermolecular Interactions In Biochemistry
NONCOVALENT INTERMOLECULAR INTERACTIONS IN BIOCHEMISTRY
Thermodynamic and kinetic studies of macromolec structure and enzymic mechanisms
Studies of macromolecular crowding
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