PREDICTION OF REFINED COMPLEX STRUCTURES

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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.