INSIGHT INTO BIOMOLECULAR STRUCTURE, DYNAMICS, INTERACTIONS AND ENERGETIC FROM

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。 这是MCA01S027向Cheatham实验室提出的第10个1年续订请求，以支持其自然环境中的核酸和蛋白质的生物分子模拟。一个关键的重点是揭露和修复力场和方法中的缺陷。主要的仿真工具是琥珀和高斯，但我们小组也应用了CHARMM、NAMD、AutoDock和Dock。

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. This is the 10th 1-year renewal request of MCA01S027 to the Cheatham lab to support biomolecular simulations of nucleic acids and proteins in their native environment. A key focus is on exposing and fixing deficiencies in the force fields and methods. The primary simulation tool is AMBER and Gaussian, however our group also applies CHARMM, NAMD, AutoDock and Dock.