Watkins Andrew M, Bonneau Richard, Arora Paramjit S
Department of Chemistry, New York University, New York, NY, USA.
Department of Biology, Center for Genomics and Systems Biology, New York University, New York, NY, USA.
Methods Mol Biol. 2017;1561:291-307. doi: 10.1007/978-1-4939-6798-8_17.
We describe a modular approach to identify and inhibit protein-protein interactions (PPIs) that are mediated by protein secondary and tertiary structures with rationally designed peptidomimetics. Our analysis begins with entries of high-resolution complexes in the Protein Data Bank and utilizes conformational sampling, scoring, and design capabilities of advanced biomolecular modeling software to develop peptidomimetics.
我们描述了一种模块化方法，用于识别和抑制由蛋白质二级和三级结构介导的蛋白质-蛋白质相互作用（PPI），该方法使用合理设计的拟肽。我们的分析从蛋白质数据库中高分辨率复合物的条目开始，并利用先进生物分子建模软件的构象采样、评分和设计功能来开发拟肽。
