Conformational Dynamics of Small Peptides

小肽的构象动力学

• 批准号: 9118670
• 负责人: Kenneth Spears
• 金额: $ 26.7万
• 依托单位: Northwestern University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1992
• 资助国家: 美国
• 起止时间: 1992-05-01 至 1995-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9118670&HistoricalAwards=false
• 关键词: Conformational; Dynamics; Small; Peptides

The biological importance of small peptides relates to their activity at receptor sites of many different types. The conformational flexibility of small linear peptides as a function of their environment requires a very accurate understanding of conformational dynamics in order to make predictions by computational methods. This project work will measure the activation energies for conformation changes by time dependent infrared spectroscopic methods. The N-H vibrational motion of peptides is very sensitive to geometric changes and solvent interactions. By experimentally exciting a large temperature jump on a picosecond time scale the peptide conformations rearrange and time dependent experimental measurements of the changes in the N-H region of the infrared over 20 nanoseconds can be related to conformational dynamics. The data will allow testing and refinement of molecular dynamics models. %%% The impact of this work is to enable accurate computational predictions of peptide interactions in a wide variety of biological phenomena. Such accurate predictions are essential to understand structure and function relationships.

小肽的生物学重要性与其在许多不同类型的受体位点的活性有关。 小线性肽的构象灵活性作为其环境的函数需要非常准确地理解构象动力学，以便通过计算方法进行预测。 该项目工作将通过时间依赖性红外光谱方法测量构象变化的活化能。 肽的 N-H 振动运动对几何变化和溶剂相互作用非常敏感。 通过实验激发皮秒时间尺度上的大温度跳跃，肽构象重新排列，并且对超过 20 纳秒的红外 N-H 区域变化的时间依赖性实验测量可以与构象动力学相关。 这些数据将允许测试和完善分子动力学模型。 %%% 这项工作的影响是能够对各种生物现象中的肽相互作用进行准确的计算预测。 这种准确的预测对于理解结构和功能关系至关重要。