CUMC: BIOINFORMATICS CORE

CUMC：生物信息学核心

• 批准号: 7960261
• 负责人: Sandor Lovas
• 金额: $ 3.19万
• 依托单位: UNIVERSITY OF NEBRASKA MEDICAL CENTER
• 依托单位国家: 美国
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-05-01 至 2010-04-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7960261
• 关键词: Bioinformatics; Biological Sciences; Boxing; Chemicals; Computer Retrieval of Information on Scientific Projects Database; Computers; Congresses; Doctor of Philosophy; Faculty; Funding; Grant; Informatics; Institution; Licensing; Nebraska; Panthera onca; Peptides; Research; Research Activity; Research Personnel; Resources; Running; Science; Side; Source; Students; Time; United States National Institutes of Health; Vertebral column; functional genomics; molecular dynamics; protein function; quantum

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. The Structural Bioinformatics Facility, as part of the Nebraska Informatics Center for the Life Sciences, at the Department of Biomedical Sciences continued to serve faculties and students. The computer clusters, with exceptions for short downtimes for maintenances, are up and running and the Facility is intensively used for structural characterization of peptides using quantum chemical calculations and molecular dynamics simulations. During the year additional Jaguar 5.5 licenses were purchased (we now have a total of 58 licenses) and the package was extensively used by the BRIN student Nicholas Palermo. During his research, he showed for the first time, interactions between aromatic side chains and the peptide backbone by quantum chemical calculations. His results help to understand how proteins function and these results were presented at the 7th Congress of World Association of Theoretically Oriented Chemists. A small cluster, with 6 dual 2.2 GHz AMD Opteron computers connected through a Myrinet and gigabit switch boxes, was setup and Gaussian03, NWChem 4.5, Gromacs 3.2 packages were installed to widen computational capabilities in the facility. In January 2005, Jozsef Csontos, Ph.D. was hired. His major duties are to maintain the clusters, support researchers and participate in research activities.

该副本是利用众多研究子项目之一 由NIH/NCRR资助的中心赠款提供的资源。子弹和 调查员（PI）可能已经从其他NIH来源获得了主要资金， 因此可以在其他清晰的条目中代表。列出的机构是 对于中心，这不一定是调查员的机构。 生物医学科学系的结构生物信息学设施，作为内布拉斯加州生命科学中心的一部分，继续为教职员工和学生服务。 计算机簇（除了短时间的维护时，都在运行和运行，并且使用量子化学计算和分子动力学模拟，该设施被强烈地用于肽的结构表征。 在这一年中，购买了Jaguar 5.5许可证（我们现在总共有58个许可证），并且该套餐被Brin Student Nicholas Palermo广泛使用。 在他的研究中，他首次通过量子化学计算首次展示了芳族侧链与肽主链之间的相互作用。 他的结果有助于了解蛋白质的功能和这些结果是如何在理论上取向化学家联合会的第七届国会中提出的。 设置了一个由Myrinet和Gigabit开关盒连接的6个双2.2 GHz AMD Opteron计算机的小型集群，已设置为Gromacs 3.2包装，以扩大该设施中的计算能力。 2005年1月，Jozsef Csontos博士被录用。他的主要职责是维持集群，支持研究人员并参与研究活动。