Computational Center for Biomolecular Complexes C2BC
Home Investigators Mission Organization Communication Intranet Workshops	RESEARCH MISSION   The success in genome sequencing has led to new initiatives in structural genomics and proteomics. The primary goal of structural genomics is to determine the structures of proteins on a genomic scale using x-ray crystallography and NMR. The proteomics centers are focused on characterizing proteins in complexes using mass spectroscopy, probing for protein-protein interactions by yeast 2-hybrid, and gene expression by microarray. We anticipate a growth of research in the structural biology of large biomolecular complexes (>0.5 Mda). These types of specimens present new challenges in each step of the structure determination pipeline. Once the structures are determined there are significant challenges in archiving and visualizing the results. Every step requires significant investment in the development of appropriate computational algorithms, implementation of efficient codes and the creation of tools for use by biologists. In this P20 pre-center proposal, we have assembled a group of four investigators who have complementary expertise in electron cryomicroscopy, crystallography, data representation and archiving, visualization and computer science. We will develop a virtual computational center for biomolecular complexes (C2BC). This virtual center will provide an enabling computational environment as well as a strong interdisciplinary cadre of researchers for the structural biology of biomolecular complexes. In this P20 proposal, we will engage in two sets of activities: workshops and pilot studies. These activities are organized under three leadership teams on computational interface to experiments, data representation, and structural analysis and visualization. Each team leader will solicit and encourage community input through workshops and video-conferences that will come up with recommendations on the computational demands of the experimental data and user interface requirements of the scientific undertaking. Each team will conduct pilot studies on selected systems to demonstrate the mechanism of collaboration across disciplines and institutions among the four PI and Co-PIs. We will have a project manager to organize the workshops and communications among different investigators. There will be an external advisory committee to guide the formation of the proposed center. We expect to establish a group of experts in the cross-disciplinary fields and formulate a collaborative mechanism for them to participate in the research necessary to meet the computational needs for studying biomolecular complexes. Computation plays a central role in the structure analysis of biomolecular complexes. Open arrows signify conceptual workflow and solid arrows show actual information flow
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