RosettaInterface : Advanced Methods and Resources for Characterization and Redesign of Protein-Protein Interactions

该奖项是根据2009年美国复苏和再投资法案（公法111-5）资助的。加州大学旧金山分校弗朗西斯科被授予一笔赠款，用于创建，改进和传播先进的分子建模和预测方法，用于表征和重新设计蛋白质之间的相互作用。蛋白质相互作用和它们形成的复杂网络对基本上所有生物过程都至关重要。表征和改变个体相互作用的工具对于确定这些相互作用网络中的蛋白质功能非常重要。该项目将创建这样的方法来推进蛋白质功能的生物学研究。该项目扩展了PI（Rosetta和RosettaInterface）以前共同开发的计算方法，这些方法已用于确定蛋白质之间界面的关键相互作用，并与生物学家合作创建新的和修改的蛋白质相互作用。这项研究将产生：（i）为非专业人员提供更好和更容易获得的工具，通过预测氨基酸突变的影响来表征蛋白质和蛋白质界面，（ii）通过重新设计改变蛋白质相互作用性质的新的和更好的协议，（iii）通过设计候选蛋白质库来产生实验测试假设，以促进困难的蛋白质工程问题的先进工具。该项目产生和整合的新的、改进的和自动化的计算方法将作为RosettaInterface网络资源提供给研究人员（http：//kortemmelab.ucsf.edu/）。源代码将免费提供（http：//www.rosettacommons.org/），用于计算生物学、生物信息学、结构生物学以及合成和细胞生物学。研究生、本科生和高中生将在小组中使用RosettaInterface资源？团队挑战？生物工程的暑期实习和研究项目。

This award is funded under the American Recovery and Reinvestment Act of 2009 (Public Law 111-5).The University of California at San Francisco is awarded a grant to create, improve and disseminate advanced molecular modeling and prediction methods for the characterization and redesign of interactions between proteins. Protein interactions and the complex networks that they form are critical to essentially all biological processes. Tools to characterize and alter individual interactions are important to determine protein function within these interaction networks. This project will create such methods to advance biological research on protein functions. The project extends previous computational methods co-developed by the PI (Rosetta and RosettaInterface) that have been used to determine crucial interactions in the interfaces between proteins and to create new and modified protein interactions, in collaborations with biologist. This research will produce: (i) improved and easily accessible tools for non-specialists to characterize proteins and protein interfaces by predicting the effects of amino acid mutations, (ii) new and improved protocols for changing the properties of protein interactions by reengineering them and (iii) advanced tools to facilitate difficult protein engineering problems by designing libraries of candidate proteins to generate hypotheses for experimental testing. New, improved and automated computational methods generated and integrated by this project will be available to researchers as a RosettaInterface web resource (at http://kortemmelab.ucsf.edu/). The source code will be freely available (http://www.rosettacommons.org/) for applications in computational biology, bioinformatics, structural biology and synthetic and cellular biology. Graduate, undergraduate and high-school students will utilize the RosettaInterface resource in group ?team challenges?, summer internships and research projects in biological engineering.