Computational Models for Molecular Recognition and Protein Stability

分子识别和蛋白质稳定性的计算模型

• 批准号: 9119575
• 负责人: Ken Dill
• 金额: $ 36.16万
• 依托单位: University of California-San Francisco
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1993
• 资助国家: 美国
• 起止时间: 1993-09-01 至 1997-02-28
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9119575&HistoricalAwards=false
• 关键词: Computational; Models; Molecular; Recognition; Protein

9119575 Dill This proposal would provide primarily provide postdoctoral support to this group of researchers to work on the development of potential function of intermediate and variable resolution and the interfacing of high-resolution force-fields with low resolution statistical mechanics methods. Four specific subprojects are planned: the integrating of the Poisson- Boltzmann electrostatics with microscopic models, the development of intermediate resolution force-field in conjunction with atomic resolution and fast lattice models, the determination of local minima of low-resolution structures via atomic resolution force- fields, the integration of polymer statistical mechanics with force-fields. In addition this group will attract postdocs with backgrounds in nonbiological areas such as mathematics or computer sciences, thus providing a broad, interdisciplinary training environment. ***

[9119575] Dill本项目将主要为该团队提供博士后支持，开展中、变分辨率势函数的发展以及高分辨率力场与低分辨率统计力学方法的接口研究。规划了四个具体的子课题：泊松-玻尔兹曼静电学与微观模型的集成，结合原子分辨率和快速晶格模型发展中分辨率力场，通过原子分辨率力场确定低分辨率结构的局部极小值，聚合物统计力学与力场的集成。此外，该组将吸引具有数学或计算机科学等非生物领域背景的博士后，从而提供广泛的跨学科培训环境。＊＊＊