公开(公告)号：US20130274441A1

公开(公告)日：2013-10-17

申请号：US13802464

申请日：2013-03-13

Applicant: University of Washington through its Center for Commercialization ,  THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

Inventor： David Baker ,  Neil King ,  William Sheffler ,  Todd Yeates

IPC: G06F19/12

CPC classification number: G06F19/12 ,  G06F19/16

Abstract: Methods and systems for computationally designing self-assembling polypeptides are disclosed. A representation of a docked configuration of a symmetric protein architecture can be determined by a computing device configured to computationally symmetrically dock representations of protein building blocks within a representation of a symmetric protein architecture, where symmetrically docking a representation of a particular protein building block can include determining a configuration of the protein building blocks in three-dimensional space within the symmetric protein architecture configured to generate interfaces between building blocks suitable for computational protein interface design. The amino acid sequence of the docked protein building blocks can be computationally modified to specify protein-protein interfaces between the plurality of protein building blocks that are energetically favorable to drive self-assembly of a protein that includes the modified amino acid sequence.

Abstract translation: 公开了用于计算设计自组装多肽的方法和系统。 对称蛋白质结构的对接配置的表示可以由计算设备确定，该计算设备被配置为计算对称地对接蛋白质构建块在对称蛋白质结构的表示内的表示，其中对称性地对接特定蛋白质构建块的表示可以包括 确定所述对称蛋白质结构内的三维空间中的蛋白质构建块的配置，其被配置为在适于计算蛋白质界面设计的构建块之间产生界面。 对接的蛋白质结构单元的氨基酸序列可以进行计算上的修改，以指定能够有利于驱动包含修饰的氨基酸序列的蛋白质的自组装的多个蛋白质结构单元之间的蛋白质 - 蛋白质界面。