Simulation of ligand binding-induced conformational changes in biological systems

模拟生物系统中配体结合诱导的构象变化

• 批准号: LX0776536
• 负责人: Dr Stefano Piana
• 金额: $ 0.18万
• 依托单位: Curtin University
• 依托单位国家: 澳大利亚
• 项目类别: Linkage - International
• 财政年份: 2007
• 资助国家: 澳大利亚
• 起止时间: 2007-01-01 至 2007-12-31
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/LX0776536
• 关键词: Simulation; ligand; binding; induced; conformational

This project is focused on the development of a methodology that will allow using molecular dynamics simulations to study fundamental biochemical reactions. The benefits to the Australian community are two fold: i) the software developed will be made available to the whole scientific community through peer-reviewed publication. Australian researchers will have the possibility to exploit the software in advance through collaborations with our research group. ii) During this collaboration Australian PhD students will have the opportunity to spend a few months overseas to learn about the most advanced computational techniques and interact with top researchers in the computational chemistry field.

这个项目的重点是开发一种方法，使其能够使用分子动力学模拟来研究基本的生化反应。这对澳大利亚社区有两方面的好处：i)开发的软件将通过同行评议的出版物向整个科学界提供。澳大利亚研究人员将有可能通过与我们的研究小组合作提前开发该软件。Ii)在这次合作中，澳大利亚博士生将有机会在海外呆上几个月，学习最先进的计算技术，并与计算化学领域的顶尖研究人员互动。