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: 8360665
• 负责人: John O Trent
• 金额: $ 11.64万
• 依托单位: UNIVERSITY OF LOUISVILLE
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-07-01 至 2012-06-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8360665
• 关键词: Cancer Center; Centers of Research Excellence; Core Facility; Data; Docking; Funding; Goals; Grant; Homology Modeling; Modeling; Molecular Models; Molecular Target; National Center for Research Resources; Pharmaceutical Preparations; Principal Investigator; Research; Research Infrastructure; Resources; Roentgen Rays; Screening procedure; Services; Source; Techniques; United States National Institutes of Health; base; cost; inhibitor/antagonist; member; molecular dynamics; molecular modeling; virtual

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. 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 1, 2, 3, and 4. Using homology modeling and virtual screening of potential inhibitors, Dr. Trent has made very important contributions on a collaborative basis to members of each COBRE-MT 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. For Dr. Geoffrey Clark's project (7), the Core C is performing virtual screens on two targets. Finding new drug templates for two projects demonstrates excellent progress and represents a relatively unique hit rate.

这个子项目是利用这些资源的众多研究子项目之一