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

扩展糖力场参数以实现核酸建模

• 批准号: 8361808
• 负责人: ROBERT J WOODS
• 金额: $ 7.09万
• 依托单位: UNIVERSITY OF GEORGIA
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-02-01 至 2012-01-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8361808
• 关键词: Carbohydrates; DNA; Funding; Grant; Modeling; National Center for Research Resources; Nucleic Acid Resources; Nucleic Acids; Polymers; Principal Investigator; RNA; Research; Research Infrastructure; Resources; Simulate; Source; United States National Institutes of Health; cost

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. 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.

该子项目是利用资源的众多研究子项目之一 由 NIH/NCRR 资助的中心拨款提供。子项目的主要支持 并且子项目的主要研究者可能是由其他来源提供的， 包括其他 NIH 来源。 子项目可能列出的总成本 代表子项目使用的中心基础设施的估计数量， NCRR 赠款不直接向子项目或子项目工作人员提供资金。 AMBER 力场已广泛用于采用主要由 Cheatham 博士开发的参数来模拟核酸聚合物（DNA、RNA）。 由于我们的 GLYCAM 参数能够准确模拟碳水化合物环，他要求我们将参数扩展到核酸。 这是一个重大项目，但有潜力克服 AMBER 参数中一些长期存在的弱点。