USING AMBER TO PROBE STRUCTURE, DYNAMICS AND INTERACTION

该子项目是利用 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得主要资金， 因此可以在其他CRISP条目中表示。列出的机构是 中心，不一定是研究者的机构。 在过去的十年中，我们已经开发并应用了AMBER生物分子模拟程序套件到各种各样的生物分子系统。 此外，我们的团队还开发了用于轨迹分析的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。 我们的出版物突出了最近的进展。

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.