SIMULATION OF COMPLEX MOLECULAR SYSTEMS

复杂分子系统的模拟

• 批准号: 8364239
• 负责人: PETER A KOLLMAN
• 金额: $ 0.11万
• 依托单位: CARNEGIE-MELLON UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-09-15 至 2013-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8364239
• 关键词: Biological; Biomedical Research; Catalysis; Complex; Computer software; Enzymes; Funding; Grant; High Performance Computing; Molecular; National Center for Research Resources; Nucleic Acids; Principal Investigator; Proteins; Research; Research Infrastructure; Resources; Source; System; United States National Institutes of Health; abstracting; cost; interest; molecular recognition; parallel computer; simulation

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. Abstract: We propose to continue to develop and enhance our AMBER software for parallel computers and to use this and other software to understand molecular recognition and enzyme catalysis in complex molecular systems involving proteins, nucleic acids and other molecules of biological interest.

该子项目是利用资源的众多研究子项目之一 由 NIH/NCRR 资助的中心拨款提供。子项目的主要支持 并且子项目的主要研究者可能是由其他来源提供的， 包括其他 NIH 来源。 子项目可能列出的总成本 代表子项目使用的中心基础设施的估计数量， NCRR 赠款不直接向子项目或子项目工作人员提供资金。 摘要：我们建议继续开发和增强用于并行计算机的 AMBER 软件，并使用该软件和其他软件来理解涉及蛋白质、核酸和其他生物感兴趣分子的复杂分子系统中的分子识别和酶催化。