U.S.-Japan Cooperative Research: Dynamical Foundation of Protein Function: Energy Transfer and Storage

该奖项支持内华达大学里诺分校的David Leitner教授和日本神户大学的Tamiki Komatsuzaki教授之间为期两年的合作研究项目。他们将从能量传递和储存的角度研究蛋白质功能的动力学基础。该提案详细介绍了由三个美国研究小组和四个日本研究小组计划的一系列相互关联的合作项目，其目标是提供蛋白质中能量传输和储存的分子水平描述。每个小组目前都参与蛋白质的能量传输和蛋白质在功能和折叠过程中的动力学的理论和计算研究。该提案的三个目标将通过计算建模来解决以下问题：1)蛋白质中的能量流，重点是阐明途径和蛋白质结构的作用；2)水环境和非水环境对蛋白质能量流动和储存的影响；3)分析蛋白质在许多时间尺度上的非布朗动力学，特别关注产生复杂动力学的势能景观的特性。该项目汇集了许多具有互补专业知识和研究能力的实验室的努力。两个小组都有理论和计算化学以及生物学方面的专业知识。通过思想和技术的交流，该项目将扩大我们的基础知识基础，促进国际了解与合作。该项目包括博士后和研究生的参与。研究结果将在科学会议和科学期刊上传播。

0437165LeitnerThis award supports a two-year collaborative research project between Professor David Leitner of the University of Nevada in Reno and Professor Tamiki Komatsuzaki at Kobe University in Japan. They will be undertaking a study on the dynamical foundation of protein function with reference to energy transfer and storage. The proposal details a number of interconnected collaborative projects planned by three U.S. research groups and four research groups in Japan with the goal of providing a molecular-level description of energy transport and storage in proteins. Each group is presently involved in theoretical and computational studies of energy transport in proteins and protein dynamics during function and folding. The three goals of the proposal will address, through computational modeling, the following: 1) energy flow in proteins, with emphasis on elucidation of pathways and the role of protein structure; 2) the influence of both aqueous and non-aqueous environments on energy flow and storage in proteins; and 3) analysis of non-Brownian dynamics of proteins over many time scales, with particular focus on the properties of the potential energy landscape that give rise to complex dynamics. This project brings together the efforts of a number of laboratories that have complementary expertise and research capabilities. Both groups have expertise in theoretical and computational chemistry and biology. Through the exchange of ideas and technology, this project will broaden our base of basic knowledge and promote international understanding and cooperation. The project includes the participation of postdocs and graduate students. Results of the research will be disseminated at scientific meetings and in scientific journals.