EXPERT SYSTEM FOR PREDICTING PROTEIN SECONDARY STRUCTURE

预测蛋白质二级结构的专家系统

• 批准号: 2423296
• 负责人: STEVEN A BENNER
• 金额: $ 29.62万
• 依托单位: ERAGEN BIOSCIENCES, INC.
• 依托单位国家: 美国
• 财政年份: 1995
• 资助国家: 美国
• 起止时间: 1995-09-01 至 1999-08-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/2423296
• 关键词: artificial intelligence; biochemical evolution; chemical models; computer assisted sequence analysis; computer data analysis; computer human interaction; computer program /software; computer simulation; computer system design /evaluation; genome; information systems; mathematics; model design /development; protein sequence; protein structure; structural biology

Heuristics have been developed that allow the prediction of the secondary structure of proteins starting from a set of aligned homologous protein sequences. These heuristics extract conformational information from patterns of conservation and variation within the family of proteins. The tools as presently implemented involve both automated and manually applied tools. They have been tested by making bona fide prediction of protein secondary structure, those announced before an experimental structure becomes available, for approximately a dozen proteins. These predictions have proven to be remarkably accurate. Further, they have defined a few secondary structural element types that are difficult to predict, thus focusing future work. Thus, they are a significant step towards meeting one goal of the National Library of Medicine to develop "algorithms capable of predicting structure [of proteins] based on primary sequences of amino acids" (Item 103.D). The work to be funded under this proposal will transfer from Switzerland to the United States these prediction technologies when the Principal Investigator moves to the University of Florida in 1995. The proposed work will test the feasibility of preparing computer software that can be used on workstations to automate those aspects of the structure prediction tools that are presently applied by hand. PROPOSED COMMERCIAL APPLICATION: Tools that enable the prediction of the folded structure of proteins from sequence data are commercially marketable as computer software, as well as core units in drug discovery and drug development programs.

已经开发了允许次要预测的启发式方法 蛋白质的结构从一组对齐的同源蛋白开始 序列。这些启发式方法从中提取构象信息 蛋白质家族中的保护和变异模式。这 目前实施的工具涉及自动化和手动应用 工具。他们通过对蛋白质进行真正的预测来测试它们 二级结构，这些结构在实验结构之前宣布 可用于大约十二种蛋白质。这些预测 被证明非常准确。此外，他们定义了一些 因此，难以预测的次要结构元素类型 集中未来的工作。因此，它们是开会的重要一步 国家医学图书馆开发“算法的目标之一 能够基于主要序列预测[蛋白质]的结构 氨基酸”（项目103.D）。该提案要资助的工作 将从瑞士转移到美国 当首席研究人员搬到大学时，技术 佛罗里达州于1995年。拟议的工作将测试准备的可行性 可以在工作站上使用的计算机软件自动化这些软件 目前应用的结构预测工具的各个方面 手。 拟议的商业应用：实现预测的工具 序列数据中蛋白质的折叠结构是商业上的 可以作为计算机软件以及药物发现的核心单位出售 和药物开发计划。