EXTENSION OF GLYCAM FORCE FIELD PARAMETERS TO ENABLE MODELING OF NUCLEIC ACIDS

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。 琥珀力场已被广泛用于模拟核酸聚合物(DNA，RNA)，主要使用由Cheatham博士开发的参数。由于我们的GLYCAM参数能够准确地模拟碳水化合物环，他要求我们将参数扩展到核酸。这是一个重大项目，但有可能克服琥珀参数中一些长期存在的弱点。

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. The AMBER force field has been widely used for simulating nucleic acid polymers (DNA, RNA) employing the parameters developed principally by Dr. Cheatham. Because of the ability of our GLYCAM parameters to accurately model carbohydrate rings, he has asked us to extend our parameters to nucleic acids. This is a major project, but has the potential to overcome some long-standing weaknesses in the AMBER parameters.