Molecular Conformation, Comparison and Interaction

分子构象、比较和相互作用

• 批准号: 8810803
• 负责人: Michael Connolly
• 金额: $ 4.86万
• 依托单位: New York University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1988
• 资助国家: 美国
• 起止时间: 1988-12-15 至 1990-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8810803&HistoricalAwards=false
• 关键词: Molecular; Conformation; Comparison; Interaction

Dr. Michael L. Connolly is jointly supported by a grant from the Theoretical and Computational Chemistry Program of the Chemistry Division, and the Division of Instrumentation and Resources in the Biological Behavorial and Social Sciences Directorate. Dr. Connolly will develop computer algorithms to provide a visual comparison of protein conformations which take into account the topology as well as the geometry of the protein conformations. Dr. Connolly has developed a new technique which maximizes the overlap of chemical volume to identify structures in several molecules with similar shapes. Dr. Connolly will also develop an automatic algorithm for identifying protein binding pockets and for docking small molecules, such as drugs and hormones, into them.

Michael L.博士康诺利得到了来自 理论与计算化学专业 化学部、仪器仪表部 生物行为与社会科学资源 董事会。 康诺利博士将开发计算机算法 提供了蛋白质构象的视觉比较， 考虑到拓扑结构以及几何形状的 蛋白质构象 康诺利博士发明了一种新技术， 化学体积的重叠，以确定几个 形状相似的分子康诺利博士还将开发 一种识别蛋白质结合口袋的自动算法 以及对接小分子，如药物和激素， 进入他们。