New methodology for the evaluation of electronic effects in selective ion binding to membrane proteins

评估选择性离子与膜蛋白结合的电子效应的新方法

• 批准号: 340946-2010
• 负责人: Noskov, Sergei
• 金额: $ 4.44万
• 依托单位: University of Calgary
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2013
• 资助国家: 加拿大
• 起止时间: 2013-01-01 至 2014-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=527202
• 关键词: New; methodology; evaluation; electronic; effects

This project is aimed towards better description of the molecular mechanism, which governs an ion binding to membrane proteins. Selective transport of potassium or sodium ions across cellular membranes is a key component for the normal cell functioning. Theoretical simulations will help to elucidate role of electronic effects and pin-point key determinants of selective ion transport. The projects will lead to understanding of mechanisms of how membrane proteins select ions for their functional activity, role of fine corrections to biophysical models, and help to develop tools for studies of ion dynamics in biological and synthetic pores.

该项目旨在更好地描述控制离子与膜蛋白结合的分子机制。钾或钠离子穿过细胞膜的选择性转运是正常细胞功能的关键组成部分。理论模拟将有助于阐明电子效应的作用并查明选择性离子传输的关键决定因素。这些项目将有助于了解膜蛋白如何选择离子以实现其功能活动的机制、生物物理模型精细校正的作用，并有助于开发用于研究生物和合成孔中离子动力学的工具。