SALT EFFECTS IN SOLUTIONS OF PEPTIDES AND NUCLEIC ACIDS

肽和核酸溶液中的盐效应

• 批准号: 7723110
• 负责人: Bernard MONTGOMERY PETTITT
• 金额: $ 0.05万
• 依托单位: CARNEGIE-MELLON UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-08-01 至 2009-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7723110
• 关键词: Behavior; Biochemical; Biological Models; Biopolymers; Code; Computer Retrieval of Information on Scientific Projects Database; Data; Equation; Evaluation; Funding; Grant; Institution; Manuscripts; Methods; Nucleic Acids; Peptide Nucleic Acids; Peptides; Probability; Property; Proteins; Research; Research Personnel; Resources; Saline; Simulate; Sodium Chloride; Solutions; Source; Thermodynamics; United States National Institutes of Health; aqueous; density; melting; molecular dynamics; programs; theories

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. We will use 2 methods, molecular dynamics simulations and diagrammatic theory, to study the properties of proteins and nucleic acids in aqueous saline solution. The molecular dynamics simulations will be used to interpret structural and thermodynamic experimental data for the biopolymer projects. Using recent classical force eld models these systems will be simulated with molecular dynamics using programs developed in this lab. The following ongoing scientic projects of biochemical/biotechnological signicance related to the this renewal are described: 1)Salt effects in Peptide and Protein Solutions: non-ideal behavior, 2)DNA melting 3)Evaluation of probability densities by integral equations. These are an ongoing set of funded projects. Considerable progress has been made with the last allocation and we expect to finish the supplemental allocation before the end of this quarter. Several manuscripts have been and are being completed; these are listed in a separate section of this document along with progress on code optimization.

这个子项目是许多研究子项目中的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 我们将使用分子动力学模拟和图解理论两种方法来研究蛋白质和核酸在盐水溶液中的性质。分子动力学模拟将用于解释生物聚合物项目的结构和热力学实验数据。使用最近的经典力场模型，这些系统将使用本实验室开发的程序用分子动力学模拟。本文介绍了与这一更新有关的下列正在进行的具有生物化学/生物技术意义的科学项目：1）肽和蛋白质溶液中的盐效应：非理想行为，2）DNA解链，3）用积分方程计算概率密度。这是一系列正在进行的资助项目。上一次分配已取得相当大的进展，我们预计将在本季度末前完成补充分配。已经完成和正在完成的几份手稿;这些手稿与代码优化的进展一起沿着在本文档的单独部分中。