PROTEIN FUNCTIONAL ANNOTATION

这个子项目是利用资源的许多研究子项目之一。 由NIH/NCRR资助的中心拨款提供。对子项目的主要支持 子项目的首席调查员可能是由其他来源提供的， 包括美国国立卫生研究院的其他来源。为子项目列出的总成本可能 表示该子项目使用的中心基础设施的估计数量， 不是由NCRR赠款提供给次级项目或次级项目工作人员的直接资金。 大量的蛋白质已经被测序，它们的结构 和功能还没有被正确地描述。我们使用同源建模， 基于对接和分子力学广义玻恩表面积(MM-GBSA) 计算相对结合能和代谢物配基排序的方法。这些 化合物随后在UIUC的Gerlt实验室进行测试。

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. An enormous number of proteins have been sequenced and their structure and function have not been correctly characterized. We use homology modeling, docking and molecular-mechanics generalized Born surface area (MM-GBSA) based method to calculate relative binding energy and rank metabolite ligands. These compounds are subsequently tested in the Gerlt's lab at UIUC.