INSIGHT INTO BIOMOLECULAR STRUCTURE, DYNAMICS, INTERACTIONS AND ENERGETIC FROM

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。 这是Cheatham实验室对MCA 01 S 027的第10次1年更新请求，以支持核酸和蛋白质在其天然环境中的生物分子模拟。一个关键的重点是揭露和纠正力场和方法中的缺陷。主要的模拟工具是AMBER和Gaussian，但我们的团队也应用了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.