Rodrigues Ana, Hubbard Roderick E
Structural Biology Laboratory, Department of Chemistry, University of York, Heslington, York, UK.
Brief Bioinform. 2003 Jun;4(2):150-67. doi: 10.1093/bib/4.2.150.
A large number of structural genomics programmes have been established worldwide with the common aim of large-scale, high-throughput protein structure determination. Due to the considerable challenges posed by the experimental methods of structural determination (primarily X-ray crystallography and nuclear magnetic resonance spectroscopy) it is important to select and prioritise candidate molecules that will maximise the information gained from each new structure. This paper describes the scientific principles that underlie target selection and the various bioinformatics tools that may be employed in such selection procedures. Then follows a discussion of the availability of resources incorporating these methods and a description of the design and application of a purpose-built target selection resource for structural genomics.
全球已建立了大量结构基因组学计划,其共同目标是进行大规模、高通量的蛋白质结构测定。由于结构测定的实验方法(主要是X射线晶体学和核磁共振光谱)带来了相当大的挑战,因此选择候选分子并确定其优先级非常重要,这样可以从每个新结构中获取最大信息。本文描述了目标选择所依据的科学原理以及可用于此类选择过程的各种生物信息学工具。接下来讨论了采用这些方法的资源可用性,并描述了专门为结构基因组学设计的目标选择资源的设计与应用。