Running Folding@home

From Rosetta@home to Folding@home Let’s start with the main principle. Rosetta@home is only predicting the molecular structure of synthetic drugs capable of Binding Covid-19 outer spike-in protein, which can be imagined as similar to the photographic technique in photography. Rosetta can statically predict the characteristics of a particular protein, but it cannot predict how that protein molecule will function under the evolution of time. Because there will be potential differences between molecules that generate electromagnetic forces, and all the constituent elements within the molecule will interact with each other to create motion over time, when we design a synthetic drug in Rosetta that can bind the SARS-COV-2 virus, we need to enter the testing phase to see if the drug can bind to the viral protein stably, because the predicted structure is static, we cannot know whether the protein structure can bind well to the viral protein under the interaction motion, here Folding@home comes in handy, it is similar to shooting a motion picture in photography, we can get the static protein structure chain from Rosetta@home, and then simulate in Folding@home whether that protein binds well to the viral protein over time to produce resistance to the virus. ...

October 22, 2020 · 2 min · alexchen

蛋白质折叠基础 - 1

蛋白质的组成 蛋白质基本上就是一部分子机器,对生命的支撑起着关键作用。 蛋白质属于高分子聚合物,是由氨基酸残基组成的多肽链。 蛋白质在工作过程中,它的三维结构即多肽链的结构是以严格确定的方式折叠起来的。 蛋白质折叠结构中分为 一级 -> 四级 结构 组成多肽链的氨基酸序列决定了蛋白质的三维结构,即蛋白质的一级结构决定了蛋白质的三维结构 蛋白质的生产过程 蛋白质的基本组成单位 - 氨基酸 氨基酸的维基百科 基本的20种氨基酸名称结构和表达式: 氨基酸的基本结构: 可以分为 氨基(NH2),羧基(CO2H),侧链(R) 蛋白质构象 Rosetta 蛋白质折叠

May 22, 2020 · 1 min · alexchen