COBRE: LOUISVILLE RES FOUND INC: CORE C: MOLECULAR MODELING FACILITY

COBRE：LOUISVILLE RES FOUND INC：Core C：分子建模设施

• 批准号: 7382008
• 负责人: John O Trent
• 金额: $ 11.07万
• 依托单位: UNIVERSITY OF LOUISVILLE
• 依托单位国家: 美国
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-07-01 至 2007-06-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7382008
• 关键词: COBRE; LOUISVILLE; RES; FOUND; INC

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 goals of the COBRE in Molecular Targets Molecular Modeling Core Facility have not changed. The Molecular Modeling Core Facility, operated by Dr. John Trent, is a state-of-the-art molecular modeling facility that has the capability of providing models based on structural data obtained from either X-ray crystallographic or NMR studies. In particular, this facility has provided important molecular modeling services for Projects I, II, III, and IV. Using homology modeling and virtual screening of potential inhibitors, Dr. Trent has made very important contributions on a collaborative basis to members of each MT-COBRE project. This facility is located within the Brown Cancer Center. The capabilities of the facility include techniques such as explicitly solvated molecular dynamics, homology modeling, docking, virtual screening, ESP calculations, and conformational searching.

该子项目是利用NIH/NCRR资助的中心赠款提供的资源的许多研究子项目之一。子项目和研究者（PI）可能从另一个NIH来源获得主要资金，因此可以在其他CRISP条目中表示。所列机构为中心，不一定是研究者所在机构。COBRE在分子靶标分子建模核心设施中的目标没有改变。由John Trent博士操作的分子建模核心设施是最先进的分子建模设施，能够根据从X射线晶体学或NMR研究中获得的结构数据提供模型。特别是，该设施为项目I，II，III和IV提供了重要的分子建模服务。Trent博士利用同源建模和潜在抑制剂的虚拟筛选，在合作的基础上为每个MT-COBRE项目的成员做出了非常重要的贡献。该设施位于布朗癌症中心内。该设施的能力包括技术，如明确溶剂化分子动力学，同源建模，对接，虚拟筛选，ESP计算和构象搜索。