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Role of salt bridge formation in the conformation change of proteins

机译:盐桥形成在蛋白质构象变化中的作用

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The role of salt bridge formation is very crucial in the conformation change of the proteins. Our earlier work had also confirmed the presence of salt bridge formations on the conformation change of the proteins in particular Calmodulin (CaM) protein. In the present study we perform the simulations of this protein at different temperatures and observe a crucial role of salt bride formations on the conformation changes observed. Parallel clusters are used to perform these simulations using the facilities of Inter University Accelerator Centre (IUAC), New Delhi, India. The present study is performed using computational facilities having namd package installed on the parallel clusters. Parallelization of this molecular dynamics (MD) package significantly helps to improve the computational time of the simulation.
机译:盐桥形成的作用在蛋白质的构象变化中至关重要。我们的早期工作还证实了蛋白质特别是钙调蛋白(CaM)蛋白质构象变化中存在盐桥形成。在本研究中,我们对这种蛋白质在不同温度下进行了模拟,并观察了盐新娘结构在观察到的构象变化中的关键作用。并行集群用于通过印度新德里的国际大学加速器中心(IUAC)的设施执行这些模拟。本研究是使用具有在并行集群上安装的Namd软件包的计算设备执行的。该分子动力学(MD)程序包的并行化极大地有助于改善模拟的计算时间。

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