MODELING MOTOR PROTEINS

这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金， 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 我们正在使用分子动力学模拟来研究与力和运动的产生相关的马达蛋白质的构象变化。我们正在研究马达蛋白肌球蛋白和肌动蛋白。特别是，我们正在研究活性部位的核苷酸与蛋白质相互作用的变化，以及马达蛋白的同时构象变化。相互作用是复杂的。加州大学旧金山分校计算机图形实验室的支持对于可视化和解释我们的分子动力学模拟结果以及了解核苷酸和蛋白质之间的相互作用是必不可少的。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. We are using molecular dynamics simulations to study conformational changes in motor proteins associated with the generation of force and motion. We are studying the motor proteins myosin and actin. In particular, we are examining changes in the interactions of the nucleotide with the protein at the active site and the concurrent conformational changes in motor proteins. The interactions are complex. The support of the Computer Graphics Laboratory at UCSF is essential for visualization and interpretation of the results of our molecular dynamics simulations, and understanding the interplay between nucleotide and protein.