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NDSU COMPUTATIONAL CHEMISTRY ANDBIOLOGY CORE

NDSU COMPUTATIONAL CHEMISTRY ANDBIOLOGY CORE
NDSU 计算化学和生物学核心
批准号:
7960200
负责人:
STEFAN BALAZ
金额:
$9.66万
依托单位:
依托单位国家:
美国
项目类别:
财政年份:
2009
资助国家:
美国
项目状态:
已结题
起止时间:
2009-07-10 至 2010-04-30

项目摘要

项目成果

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中文摘要
翻译
这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金, 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 北达科他州INBRE生物信息学核心旨在加强该州获得支持生物医学研究的计算和电子资源的机会。其目的是:1)通过计算化学和生物学网络(CCBN)支持INBRE研究人员的计算需求;2)通过从SGI/IRIX平台过渡到PC/Linux平台并制定服务费计划,实现CCBN的可持续性;以及3)加强全州INBRE网络对电子资源和数据库的访问。电子资源的透明性质使北达科他州两所研究型大学之间的实质性合作成为可能。在以负担得起的获取为指导原则的情况下,联合国开发计划署和国家科学大学以及更广泛的科学网络的调查人员受益于他们可支配的资源增加。机构受益于能够通过财团协议降低成本。为了满足对计算资源需求的预期增长,并控制支持CCBN的成本,CCBN将从目前的SGI/IRIX平台向PC/Linux平台进行重大改造。在这种情况下,远程用户将能够使用标准PC访问最先进的分子建模,并利用现有和计划中的服务器和PC集群的计算能力。在五年内实施使用费制度将满足CCBN未来的维护需求。作为INBRE电子资源计划的一部分,通过BRIN第一阶段购买的电子资源将变得制度化,这将使INBRE图书馆联盟能够在未来五年内评估和购买其他重要的电子期刊和数据库,以支持生物医学研究界。将特别努力满足INBRE调查人员的电子资源需求。
英文摘要
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 North Dakota INBRE Bioinformatics Core is designed to enhance the state's access to computational and electronic resources supporting biomedical research. The aims are to: 1) support the computational needs of INBRE investigators through the Computational Chemistry and Biology Network (CCBN); 2) achieve sustainability of the CCBN by transitioning from an SGI/IRIX-platform to a PC/LINUX platform, and by instituting a service fee plan; and 3) enhance access to electronic resources and databases for the statewide INBRE network. The transparent nature of electronic resources makes substantive, cooperation between the two research universities in North Dakota feasible. With affordable access as the guiding principle, investigators at UND and NDSU and the wider scientific network benefit from increased resources at their disposal. Institutions benefit by being able to lower costs through consortium agreements. In order to meet the anticipated increase in demand for computational resources and to keep the cost of supporting the CCBN under control, the CCBN will undergo a major transformation from its current SGI/IRIX platform to a PC/LINUX platform. As this happens, remote users will be able to access state-of-the-art molecular modeling with standard PCs, and tap into the computing power of the existing and planned servers and PC clusters. Implementation of a user fee system over five years will meet the future maintenance needs of the CCBN. As part of the INBRE plan for electronic resources, electronic resources purchased through BRIN Phase I will become institutionalized, this will allow the INBRE library consortium to evaluate and acquire other critical electronic journals and databases over the next five years to support the biomedical research community. Special efforts will be made to meet the electronic resources needs of INBRE investigators.
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会议论文
ACCURATE PREDICTION OF BINDING AFFINITIES OF LIGANDS ACROSS THE MATRIX METALLOP
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