SALT EFFECTS IN SOLUTIONS OF PEPTIDES AND NUCLEIC ACIDS

点击翻译按钮获取中文摘要

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.