This 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.
