CAREER: Holistic Approach to the Study of Protein Mechanisms

职业：蛋白质机制研究的整体方法

• 批准号: 0349303
• 负责人: Cecilia Clementi
• 金额: $ 50万
• 依托单位: William Marsh Rice University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2004
• 资助国家: 美国
• 起止时间: 2004-04-01 至 2010-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0349303&HistoricalAwards=false
• 关键词: CAREER; Holistic; Approach; Study; Protein

Prof. Cecilia Clementi of Rice University is supported by this CAREER award to study the mechanism and dynamics of the protein folding process. New coarse-grained models are being developed which greatly reduce the extent of the phase space that needs to be considered. Both inverse Monte carlo and dissipative particle dynamics methods are used to seek effective potentials and a unique algorithm developed for robotics applications is used for motion-planning on the protein landscape.The broader impacts of this research are in the biological sciences. Along with the research itself, Prof. Clementi is involved with the development of a new course in computational molecular biology and an outreach program involving presentations to local schools.This project is supported by the Theoretical and Computational Chemistry program in the Division of Chemistry and the Molecular Biophysics program in the Division of Molecular and Cellular Biology.

莱斯大学的Cecilia Clementi教授获得了这一职业奖的支持，研究蛋白质折叠过程的机制和动力学。正在开发新的粗粒度模型，它大大减少了需要考虑的相空间的范围。我们使用逆蒙特卡罗方法和耗散粒子动力学方法来寻找有效势，并使用一种为机器人应用开发的独特算法来进行蛋白质景观上的运动规划。这项研究的更广泛影响在生物科学中。除了研究本身，克莱门蒂教授还参与了一门新的计算分子生物学课程的开发，以及一个向当地学校做报告的外展项目。这个项目得到了化学系的理论和计算化学项目以及分子和细胞生物学系的分子生物物理学项目的支持。