USING AMBER TO PROBE STRUCTURE, DYNAMICS AND INTERACTION

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。 在过去的十年里，我们开发了一套用于生物分子模拟的程序，并将其应用于各种生物分子系统。此外，我们小组还开发了用于弹道分析的PTRAJ软件。我们工作的一个重要部分涉及大分子结构的可视化，我们一直是MIDAS和Chimera软件套件的长期用户。我们的出版物重点介绍了最近的进展。

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. Over the past decade, we have developed and applied the AMBER suite of programs for biomolecular simulation to a wide variety of biomolecular systems. In addition, our group has developed the ptraj software for trajectory analysis. A significant part of our work involves visualization of the macromolecular structures and we have been a long-time user of both Midas and the Chimera suite of software. Recent progress is highlighted in our publications.