U.S.-Brazil Cooperative Research on The Medium Dependence ofBiological Electron Transfer Reactions

该奖项支持分子生物学领域的合作研究。 生物物理学将由John J. Hopfield教授进行 在加州理工学院和博士。 喷气推进实验室的大卫贝拉坦 （加州理工学院）和教授何塞纳尔逊奥努奇克的圣 卡洛斯物理和化学研究所，大学 来自巴西圣保罗。 他们将建造一个 生物电荷微观预测模型 蛋白质中的电子转移反应。 具体而言，预测的相对利率（和 电子的距离和温度依赖性 血红素蛋白质异构体的转移将是 开发 这些电子转移反应是基本的 几乎所有生物学中的能量过程 系统，因此在 现在的时间 Hopfield教授和Beratan博士都将访问旧金山 卡洛斯。只有贝拉坦博士的旅行将由 这个grant。 他们将与Onuchic教授合作， 计算不同异构体的矩阵元素， 肌红蛋白晶体后衍生物 结构已经以不同的方式进行了审查， 在访问加州理工学院期间， Onuchic教授，运输温度依赖性将 计算和新的计算方法将 考虑了 最后， 电子转移将被计算出来。 先进 喷气推进实验室的计算机设施（克雷）将沿着使用 巴西的VAX以及EPR和光学 巴西实验小组使用的技术 研究蛋白质动力学 重要的科学 将提供无法提供的捐款 这些团体单独工作。

This award supports cooperative research in molecular biophysics to be conducted by Prof. John J. Hopfield at the California Institute of Technology and Dr. David Beratan of the Jet Propulsion Laboratory (Caltech) and Prof. Jose Nelson Onuchic of the Sao Carlos Institute of Physics and Chemistry, University of Sao Paulo, Brazil. They will construct a microscopic predictive model for biological charge (electron) transfer reactions in proteins. Specifically, predictions for the relative rates (and distance and temperature dependence) of electron transfer in isomers of heme proteins will be developed. These electron tranfer reactions are basic to nearly all energetic processes in biological systems and therefore are of great interest at the present time. Both Prof. Hopfield and Dr. Beratan will visit San Carlos. Only Dr. Beratan's travel will be supported by this grant. They will work with Prof. Onuchic to calculate matrix elements for different isomers in myoglobin derivatives after myoglobin crystal structures have been examined in different ways in both Brazil and the U.S. During visits to Caltech by Prof. Onuchic, transport temperature dependence will be calculated and new methods of calculation will be considered. Finally the molecular parameters of electron transfer will be worked out. The advanced computing facilities (Cray) at JPL will be used along with a VAX in Brazil as well as EPR and optical techniques in use by Brazilian experimental groups studying protein dynamics. Important scientific contributions will be made that could not be done so well by these groups working alone.