Ji Yongchang, Marinescu Dan C, Zhang Wei, Baker Timothy S
School of Electrical Engineering and Computer Science, University of Central Florida, Orlando, Florida, 32816.
Department of Biological Sciences, Purdue University, West Lafayette, IN, 47907.
Proc IPDPS (Conf). 2003 Apr 22;2003:1530-2075. doi: 10.1109/IPDPS.2003.1213138.
Structural biology, in particular the structure determination of viruses and other large macromolecular complexes leads to data- and compute-intensive problems that require resources well beyond those available on a single system. Thus, there is an imperative need to develop parallel algorithms and programs for clusters and computational grids. We present one of the most challenging computational problems posed by the three-dimensional structure determination of viruses, the orientation refinement.
结构生物学,特别是病毒和其他大型大分子复合物的结构测定,会带来数据密集型和计算密集型问题,这些问题所需的资源远远超出单个系统所能提供的资源。因此,迫切需要为集群和计算网格开发并行算法和程序。我们提出了病毒三维结构测定所带来的最具挑战性的计算问题之一,即取向优化。