Evolutionary Analysis of Protein using HyperChem

使用 HyperChem 进行蛋白质进化分析

• 批准号: 6834701
• 负责人: Neil S Ostlund
• 金额: $ 36.54万
• 依托单位: HYPERCUBE, INC.
• 依托单位国家: 美国
• 财政年份: 2003
• 资助国家: 美国
• 起止时间: 2003-06-01 至 2006-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/6834701
• 关键词: biochemical evolution; chemical models; chemical structure; computer assisted sequence analysis; computer human interaction; computer program /software; computer simulation; computer system design /evaluation; protein folding; protein sequence; protein structure function; proteomics; quantum chemistry; structural biology; three dimensional imaging /topography

DESCRIPTION (provided by applicant): At the end of Phase II, we will launch a new commercial product: HYPERPROTEIN. HYPERPROTEIN will be built on an existing software platform, HYPERCHEM, now in its commercial Version 7.5. HYPERCHEM is used in both education and industry to apply molecular modeling and computational chemistry to molecules. The feasibility of placing the HYPERPROTEIN product on the HYPERCHEM platform has been established in Phase I, both by meeting the Aims given in the Phase I proposal, and through a phylogenomic analysis of the aromatase family of proteins. The scientific Specific Aim of Phase II is to expand our understanding of phylogenomics tools to better place alternative tools in the product. The technological Specific Aim is to perform the software engineering required to support these tools. The educational Specific Aim will develop manual and tutorial describing the use of phylogenomic tools. This will include a series of worked examples that illustrate the application of advanced phylogenomic analysis. The HYPERPROTEIN product, as it emerges through software engineering, will assist with Aims 1 and 3, requiring collaboration between the Foundation scientists, who will be primarily responsible for Aims 1 and 3, and HyperCube staff, who will be primarily responsible for Aim 2. HYPERPROTEIN will fill a need in the educational software market: today, no educationally oriented product supports chemical, phylogenomic, and structural biological analysis. By expanding the capabilities of HYPERCHEM towards the biomolecular sciences, HYPERPROTEIN is expected to quadruple its subscription base in the educational market, and expand its use in industry. In the future, it should be possible to further enhance the product by joining it to naturally organized protein sequence databases. This should ensure its commercial success as an integrated phylogenomics software package, in both the academic and industrial sectors.

描述（由申请人提供）：在第二阶段结束时，我们将推出一种新的商业产品：高蛋白。高蛋白将建立在现有的软件平台Hyperchem上，该平台现在以其商业版本7.5的形式构建。 HyperChem在教育和工业中都用于将分子建模和计算化学应用于分子。将高蛋白产物放置在高化基础平台上的可行性是在I期建立的，既可以通过达到I期建议中给出的目的，又通过对蛋白质芳香化酶家族的系统基因组分析。第二阶段的科学特定目的是扩展我们对系统基因组学工具的理解，以更好地将替代工具放入产品中。技术特定的目的是执行支持这些工具所需的软件工程。教育特定的目的将开发描述系统基因组工具使用的手册和教程。这将包括一系列示例，以说明晚期系统基因分析的应用。通过软件工程出现的高蛋白产品将有助于目标1和3，需要基金会科学家之间的合作，他们将主要负责目标1和3，而HyperCube员工将主要负责AIM 2。 高蛋白将满足教育软件市场的需求：如今，没有以教育为导向的产品支持化学，系统基因组和结构生物学分析。通过将HyperChem的能力扩大到生物分子科学的能力，预计Hyperprotein将使其在教育市场中的订阅基础四倍，并扩大其在行业中的使用。将来，应该通过将产品加入自然有组织的蛋白质序列数据库来进一步增强产品。这应该确保其作为学术和工业领域的综合系统基因组学软件包的商业成功。