光线投射算法是最常使用的体绘制算法之一,它能够产生高质量的结果图形,但是绘制的时间复杂度高。提出了一种基于片段的光线投射算法(segment-based ray casting,SRC),以实现加速。同许多加速技术一样,SRC利用体数据的数据一致性,但是...光线投射算法是最常使用的体绘制算法之一,它能够产生高质量的结果图形,但是绘制的时间复杂度高。提出了一种基于片段的光线投射算法(segment-based ray casting,SRC),以实现加速。同许多加速技术一样,SRC利用体数据的数据一致性,但是却将优化重点放在融合阶段而不是传统的数据预处理阶段。SRC将连续的具有相似属性的重采样点合并成一个片段,然后对片段进行融合而不是对重采样点进行融合,从而减少了融合操作的次数和时间。对SRC从理论和实验两个方面进行验证。实验结果表明,软件实现的光线投射算法使用SRC后性能提高约30%,而基于GPU的光线投射算法使用SRC后性能提升的倍数与片段长度几乎相同,SRC易于与其他体绘制优化算法结合,具有较强的适用性。展开更多
小分子药物与靶标的结合大都以非共价键结合,氢键、静电、疏水和范德华作用以维持结合力,这些因素越多结合越牢固,活性越强。但往往伴随分子尺寸变大,产生过膜吸收代谢等药代问题,最终影响成药性。基于片段的药物发现(fragment-based dr...小分子药物与靶标的结合大都以非共价键结合,氢键、静电、疏水和范德华作用以维持结合力,这些因素越多结合越牢固,活性越强。但往往伴随分子尺寸变大,产生过膜吸收代谢等药代问题,最终影响成药性。基于片段的药物发现(fragment-based drug discovery,FBDD)是普筛高质量片段以发现苗头分子,结合结构生物学,在片段生长、连接和融合中形成先导物,以及优化出候选物的运行中,始终兼顾化合物活性和物化性质之间的协调性。基于片段的药物发现与基于靶标结构的药物发现存在密切关系。本文以数个上市的药物简释FBDD的应用原理。展开更多
The mature Shiga toxin B （StxB） gene was optimized and generated by overlapping PCR. Recombinant expression vector pQE40-DHFR/StxB was constructed when the gene was cloned into pQE fusion expression vector. Induced ...The mature Shiga toxin B （StxB） gene was optimized and generated by overlapping PCR. Recombinant expression vector pQE40-DHFR/StxB was constructed when the gene was cloned into pQE fusion expression vector. Induced by Isopropyl β-D-thiogalactoside （IPTG）, the DHFR/StxB fusion protein was highly expressed to the level of 41.36% in E. coli MI5 cells. The 35 kDa fusion protein with a 6 His-tag was one-step purified from inclusion bodies using Ni-NTA affinity chromatography column under denaturing conditions, and was refolded by dialyzing with a decreasing urea gradient. Purified DHFR/StxB fusion protein was used to immunize Kunming mice for generating the ascitic polyclonal antibody against recombinant StxB protein by injecting sarcoma 180 cells and the titer ofascitic polyclonal antibody is up to 1： 1× 10^6 detected by the indirect enzyme linked immunosorbent assy （ELISA）. Western immunoblotting analysis revealed that the ascitic polyclonal antibody against StxB had a specific affinity for a 70 kDa shiga toxin protein of Shigella dysenteriae type 1. It is a new simple and quick method to produce a large amount of ascitic polyclonal antibody. The antibody is used to develop immunological method for detecting shiga toxin.展开更多
文摘光线投射算法是最常使用的体绘制算法之一,它能够产生高质量的结果图形,但是绘制的时间复杂度高。提出了一种基于片段的光线投射算法(segment-based ray casting,SRC),以实现加速。同许多加速技术一样,SRC利用体数据的数据一致性,但是却将优化重点放在融合阶段而不是传统的数据预处理阶段。SRC将连续的具有相似属性的重采样点合并成一个片段,然后对片段进行融合而不是对重采样点进行融合,从而减少了融合操作的次数和时间。对SRC从理论和实验两个方面进行验证。实验结果表明,软件实现的光线投射算法使用SRC后性能提高约30%,而基于GPU的光线投射算法使用SRC后性能提升的倍数与片段长度几乎相同,SRC易于与其他体绘制优化算法结合,具有较强的适用性。
文摘小分子药物与靶标的结合大都以非共价键结合,氢键、静电、疏水和范德华作用以维持结合力,这些因素越多结合越牢固,活性越强。但往往伴随分子尺寸变大,产生过膜吸收代谢等药代问题,最终影响成药性。基于片段的药物发现(fragment-based drug discovery,FBDD)是普筛高质量片段以发现苗头分子,结合结构生物学,在片段生长、连接和融合中形成先导物,以及优化出候选物的运行中,始终兼顾化合物活性和物化性质之间的协调性。基于片段的药物发现与基于靶标结构的药物发现存在密切关系。本文以数个上市的药物简释FBDD的应用原理。
文摘The mature Shiga toxin B （StxB） gene was optimized and generated by overlapping PCR. Recombinant expression vector pQE40-DHFR/StxB was constructed when the gene was cloned into pQE fusion expression vector. Induced by Isopropyl β-D-thiogalactoside （IPTG）, the DHFR/StxB fusion protein was highly expressed to the level of 41.36% in E. coli MI5 cells. The 35 kDa fusion protein with a 6 His-tag was one-step purified from inclusion bodies using Ni-NTA affinity chromatography column under denaturing conditions, and was refolded by dialyzing with a decreasing urea gradient. Purified DHFR/StxB fusion protein was used to immunize Kunming mice for generating the ascitic polyclonal antibody against recombinant StxB protein by injecting sarcoma 180 cells and the titer ofascitic polyclonal antibody is up to 1： 1× 10^6 detected by the indirect enzyme linked immunosorbent assy （ELISA）. Western immunoblotting analysis revealed that the ascitic polyclonal antibody against StxB had a specific affinity for a 70 kDa shiga toxin protein of Shigella dysenteriae type 1. It is a new simple and quick method to produce a large amount of ascitic polyclonal antibody. The antibody is used to develop immunological method for detecting shiga toxin.
