PREDICTION OF REFINED COMPLEX STRUCTURES

这个子项目是许多研究子项目中的一个 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来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 在体内，蛋白质遇到许多潜在的结合伴侣。然而，在三维结构中编码的一组引人注目的特定非共价相互作用导致蛋白质与进化预定的独特底物结合。该提案的最终目标是开发一种快速算法来预测相互作用的蛋白质之间的复杂结构。该算法将执行刚体诱饵的快速筛选，然后通过包括蛋白质结构的灵活性，从该初始分析中细化排名靠前的结构。

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. In vivo, proteins encounter many potential binding partners. However, a striking set of specific non-covalent interactions encoded in the three-dimensional structure lead proteins to bind to evolutionary pre-determined unique substrates. It is the ultimate goal of this proposal to develop a fast algorithm to predict complex structures between interacting proteins. The algorithm will perform a fast screening of rigid body decoys and then refined the top ranked structures from this initial analysis by including flexibility of the protein structures.