Realistic models of permeation in ion channels

离子通道渗透的真实模型

• 批准号: DP0449904
• 负责人: A/Prof Serdar Kuyucak
• 金额: $ 14.62万
• 依托单位: The University of Sydney
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Projects
• 财政年份: 2004
• 资助国家: 澳大利亚
• 起止时间: 2004-02-01 至 2008-01-03
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DP0449904
• 关键词: Realistic; models; permeation; ion; channels

Ion channels are formed by proteins in cell membranes and provide pathways for fast and controlled flow of selected ions. This activity generates action potentials in nerves and muscles that forms the basis of all movement, sensation and thought processes. Recent determination of the crystal structure of channel proteins has enabled construction of models that can relate channel function to its structure--necessary for understanding their operation and seeking cures for diseases caused by their malfunction. This project aims to develop accurate ion-protein-water interactions for permeation models based on stochastic and molecular dynamics simulations using both classical and quantum mechanical methods.

离子通道由细胞膜中的蛋白质形成，并为选定离子的快速和受控流动提供途径。 这种活动在神经和肌肉中产生动作电位，形成所有运动，感觉和思维过程的基础。 最近对通道蛋白质晶体结构的测定使得能够构建将通道功能与其结构联系起来的模型-这对于理解其操作和寻求治疗由其故障引起的疾病是必要的。 该项目旨在开发基于随机和分子动力学模拟的渗透模型的精确离子-蛋白质-水相互作用，使用经典和量子力学方法。