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.

为该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 界面以及这些环境中肽的构象。 本研究将使用两种膜模拟物。 一种是双相 水/CC14模型，另一种是钠形成的胶束 十二烷基硫酸盐 (SDS)。 两个系列的小神经肽， 包含主要两亲性时刻，将用于这项工作。 这 这项工作的目标是比较合并和合并的结果 肽的方向（相对于膜/水 界面）在这两个膜模拟物中并结合MD 在这些介质中进行模拟，并使用 NMR 距离约束获得 对 SDS 胶束中的这些肽进行 NMR 以确定其构象 肽在同一膜模拟环境中。 分子 动力学（CHARMM）技术被提出来研究 将两亲性肽掺入膜中， 这些肽与膜/水界面有关，并且 这些环境中肽的构象。 二膜 这项研究将使用模拟物。 一种是双相模型 水/CC14，另一种是十二烷基硫酸钠形成的胶束 （安全数据表）。 两个系列的小神经肽，其中含有初级 两亲时刻，将用于这项工作。 为此目的 工作是比较合并和定位的结果 肽（相对于膜/水界面） 这两种膜模拟物并将 MD 模拟结合起来 具有从 NMR 获得的 NMR 距离限制的介质 SDS 胶束中的肽以确定肽的构象 在相同的膜模拟环境中。