Simulation of ligand binding-induced conformational changes in biological systems

这个项目的重点是开发一种方法，允许使用分子动力学模拟来研究基本的生化反应。对澳大利亚社会的好处是双重的：i)开发的软件将通过同行评审的出版物提供给整个科学界。通过与我们的研究小组合作，澳大利亚的研究人员将有可能提前利用该软件。ii)在此次合作期间，澳大利亚博士生将有机会在海外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进行互动。

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.