Department of Biochemistry, University of Washington, Seattle, Washington, United States of America.
PLoS One. 2011;6(8):e24109. doi: 10.1371/journal.pone.0024109. Epub 2011 Aug 31.
We describe RosettaRemodel, a generalized framework for flexible protein design that provides a versatile and convenient interface to the Rosetta modeling suite. RosettaRemodel employs a unified interface, called a blueprint, which allows detailed control over many aspects of flexible backbone protein design calculations. RosettaRemodel allows the construction and elaboration of customized protocols for a wide range of design problems ranging from loop insertion and deletion, disulfide engineering, domain assembly, loop remodeling, motif grafting, symmetrical units, to de novo structure modeling.
我们描述了 RosettaRemodel，这是一个用于灵活蛋白质设计的通用框架，为 Rosetta 建模套件提供了一个通用且方便的接口。RosettaRemodel 采用了一个统一的接口，称为蓝图，它允许对灵活骨架蛋白设计计算的许多方面进行详细控制。RosettaRemodel 允许构建和细化各种设计问题的自定义协议，包括环插入和删除、二硫键工程、结构域组装、环重塑、基序嫁接、对称单元，以及从头结构建模。
