STRUCTURE & EVOLUTION OF PLANT PHOTORECEPTOR PHYTOCHROME

结构

• 批准号: 6221086
• 负责人: CLARK LAGARIAS
• 金额: $ 0.13万
• 依托单位: MELLON PITTS CORPORATION (MPC CORP)
• 依托单位国家: 美国
• 财政年份: 1999
• 资助国家: 美国
• 起止时间: 1999-08-01 至 2000-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/6221086
• 关键词: biological products; biomedical resource; computers

Molecular dynamics (CHARMM) techniques are proposed for the study of the incorporation of amphiphilic peptides in membrane, the orientation of these peptides with respect to the membrane/water interface, and the conformation of the peptides in these environments. Two membrane mimics will be used for this study. One is a biphasic model of water/CC14, the other is micelles formed by sodium dodecylsulfate (SDS). Two series of small neuropeptides, which contain primary amphiphilic moments, will be used for this work. The goals fo this work are to compare the results on the incorporation and orientation of the peptides (with respect to the membrane/water interface) in these two membrane mimics and to combine the MD simulation in these media with NMR distance constraints obtained from NMR of these peptides in SDS micelles to determine the conformation of the peptides in the same membrane mimic environment. Molecular dynamics (CHARMM) techniques are proposed for the study of the incorporation of amphiphilic peptides in membrane, the orientation of these peptides with respect to the membrane/water interface, and the conformation of the peptides in these environments. Two membrane mimics will be used for this study. One is a biphasic model of water/CC14, the other is micelles formed by sodium dodecylsulfate (SDS). Two series of small neuropeptides, which contain primary amphiphilic moments, will be used for this work. The goals for this work are to compare the results on the incorporation and orientation of the peptides (with respect to the membrane/water interface) in these two membrane mimics and to combine the MD simulation in these media with NMR distance constraints obtained from NMR of these peptides in SDS micelles to determine the conformation of the peptides in the same membrane mimic environment.

为研究提出了分子动力学（CHARMM）技术 将两亲性肽掺入膜中 这些肽相对于膜/水的方向 界面和这些环境中肽的构象。 这项研究将使用两个膜模拟物。 一个是双相 水/CC14的模型，另一种是由钠形成的胶束 十二烷基硫酸盐（SDS）。 两个系列小神经肽，它们 包含主要的两亲性时刻，将用于这项工作。 这 这项工作的目标是比较合并的结果 肽的方向（相对于膜/水 界面）在这两个膜模仿中并结合MD 在这些媒体中具有从NMR距离约束的模拟 这些肽在SDS胶束中的NMR以确定的构象 同一膜上模拟环境中的肽。 分子 提出了用于研究的动力学（charmm）技术 将两亲性肽掺入膜中， 这些肽相对于膜/水接口，以及 这些环境中肽的构象。 两个膜 模仿将用于这项研究。 一个是双相模型 水/CC14，另一种是由十二烷基硫酸钠形成的胶束 （SDS）。 两种含有主要的小神经肽 两亲动的时刻将用于这项工作。 目标的目标 工作是要比较成果和方向的结果 肽（相对于膜/水接口） 这两个膜模仿并结合了MD模拟 具有从这些NMR获得的NMR距离约束的媒体 SDS胶束中的肽以确定肽的构象 在同一膜模仿环境中。