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. DESCRIPTION (provided by applicant): The success in genome sequencing has led to new initiatives in structural genomics and proteomics. We anticipate a growth of research in the structural biology of large biomolecular complexes (>0.5 M Da). 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 cryo-microscopy, crystallography, data representation and archiving, visualization and computer science. We will develop a virtual Computational Center for Biomolecular Complexes (C2BC), which will provide an enabling computational environment as well as a strong interdisciplinary cadre of researchers beyond the current investigators 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 and institutions. There will be an external advisory committee to guide the formation of the proposed center
| Ni, Peng; Wang, Zhao; Ma, Xiang et al. (2012) An examination of the electrostatic interactions between the N-terminal tail of the Brome Mosaic Virus coat protein and encapsidated RNAs. J Mol Biol 419:284-300 |
| Bajaj, Chandrajit; Zhao, Wenqi (2010) FAST MOLECULAR SOLVATION ENERGETICS AND FORCE COMPUTATION. SIAM J Sci Comput 31:4524-4552 |
| Zhang, Yongjie; Hughes, Thomas J R; Bajaj, Chandrajit L (2010) An Automatic 3D Mesh Generation Method for Domains with Multiple Materials. Comput Methods Appl Mech Eng 199:405-415 |
| Bajaj, Chandrajit; Goswami, Samrat (2009) Modeling Cardiovascular Anatomy from Patient-Specific Imaging Data. Comput Methods Appl Sci 13:1-28 |
| Yu, Zeyun; Bajaj, Chandrajit (2008) Computational approaches for automatic structural analysis of large biomolecular complexes. IEEE/ACM Trans Comput Biol Bioinform 5:568-82 |
| Lawson, Catherine L; Dutta, Shuchismita; Westbrook, John D et al. (2008) Representation of viruses in the remediated PDB archive. Acta Crystallogr D Biol Crystallogr D64:874-82 |
| Bajaj, Chandrajit; DiCarlo, Antonio; Paoluzzi, Alberto (2008) PROTO-PLASM: parallel language for adaptive and scalable modelling of biosystems. Philos Transact A Math Phys Eng Sci 366:3045-65 |
| Auer, Manfred; Koster, Abrahram J; Ziese, Ulrike et al. (2008) Three-dimensional architecture of hair-bundle linkages revealed by electron-microscopic tomography. J Assoc Res Otolaryngol 9:215-24 |
| Ju, Tao; Baker, Matthew L; Chiu, Wah (2007) Computing a family of skeletons of volumetric models for shape description. Comput Aided Des 39:352-360 |
| Baker, Matthew L; Ju, Tao; Chiu, Wah (2007) Identification of secondary structure elements in intermediate-resolution density maps. Structure 15:7-19 |
Showing the most recent 10 out of 19 publications
