正溴丁烷合成虚拟仿真系统的设计与辅助实验教学研究*

介绍了正溴丁烷合成虚拟仿真系统的设计与功能,并结合具体的教学实践和研究结果的对比分析,提出了虚实结合的混合式教学模式,这种教学模式能有效解决传统实验教学过程中实验预习效果差、过程性评价难的教学痛点。     

Computational Approaches to Discover Novel Natural Compounds for SARS-CoV-2 Therapeutics

Scientists all over the world are facing a challenging task of finding effective therapeutics for the coronavirus disease (COVID-19). One of the fastest ways of finding putative drug candidates is the use of computational drug discovery approaches. The purpose of the current study is to retrieve natural compounds that have obeyed to drug-like properties as potential inhibitors. Computational molecular modelling techniques were employed to discover compounds with potential SARS-CoV-2 inhibition properties. Accordingly, the InterBioScreen (IBS) database was obtained and was prepared by minimizing the compounds. To the resultant compounds, the absorption, distribution, metabolism, excretion and toxicity (ADMET) and Lipinski's Rule of Five was applied to yield drug-like compounds. The obtained compounds were subjected to molecular dynamics simulation studies to evaluate their stabilities. In the current article, we have employed the docking based virtual screening method using InterBioScreen (IBS) natural compound database yielding two compounds has potential hits. These compounds have demonstrated higher binding affinity scores than the reference compound together with good pharmacokinetic properties. Additionally, the identified hits have displayed stable interaction results inferred by molecular dynamics simulation results. Taken together, we advocate the use of two natural compounds, STOCK1N-71493 and STOCK1N-45683 as SARS-CoV-2 treatment regime.     

一种基于遗传算法的肽/蛋白质结合模式虚拟筛选建模技术

“合理”QSAR模型是指在了解配体与受体相互作用模式的前提下建立定量构效关系, 这样避开了传统做法仅仅依靠样本集分子自身信息来构建预测模型的诸多弊端. 本文将此思想应用于肽/蛋白质亲和活性的研究当中, 借助于遗传算法作为虚拟受体结合靶点及相互作用模式的筛选手段得到了一种新的建模技术: 肽/蛋白质结合模式遗传虚拟筛选(genetic virtual screening of combinative mode for peptide/protein, GVSC). 该法成功解决了“合理”QSAR研究中的难题, 即大多数情况下受体结构未知而难以了解配基与之发生的结合方式. 分别使用58个血管紧张素转化酶, 18个Camel抗体蛋白cAb-lys3双位点突变残基对GVSC加以检验, 其结果表明GVSC能够较好地阐明配基与受体之间的作用机理, 并能得到优于传统方法的QSAR模型.     

Elastoplastic Analysis with Limited Plastic Deformations and Displacements*

ABSTRACT

This paper presents solution methods for elastoplastic and shakedown analysis of linearly elastic, perfectly plastic bodies for which the conventional classical formulations of these problems are completed by constraints on overall plastic deformation and elastoplastic displacement. The methods are described in terms of nonlinear mathematical programming and provide solutions when the plastic reserves of the body are not fully exhausted, and the plastic performance and the plastic deformations are controlled. Application of the method is illustrated by an example.     

大跨越管道油气混输压力波速及响应特性研究

基于双流体模型,利用小扰动理论,提出了油气混输大跨越管道压力波速模型.利用计算机编程对其求解,通过大跨越管道油气混输实例,得到了以下结论:压力波速的变化受气相影响较大,即使少量气体也能在较大程度上影响压力波速,随混输气量增大,压力波速减小,压力响应时间延长;混输低点气体所承受的压力较混输高点大,从而低点处气相压缩系数小,混输低点较混输高点压力波速增大,压力响应时间相应缩短;在输运管道低点处,气体受到极大压缩,压力波速的变化不明显,几乎收敛于恒定值,在混输管道高点处压力波速变化剧烈.     

Fredholm theory for pseudoholomorphic curves with brake symmetry

We study the pseudoholomorphic curves with brake symmetry in symplectization of a closed contact manifold. We introduce the pseudo-holomorphic curves with brake symmetry and the corresponding moduli space. Then we get the virtual dimension of the moduli space.     

虚拟仪器技术在电路教学中的应用

针对"电路理论"教学过程中学生在理解上存在困难的部分章节,利用虚拟仪器技术灵活多变、形象生动的特点,我们制作了部分教学演示软件.利用虚拟波形发生器和虚拟示波器等技术可使电路中枯燥难懂的概念与理论公式以虚拟波形的方式动态、实时交互地展现出来,增强了学生的感性认识,有效地提高了课堂的教学效果.     

用于教学的局域网共享虚拟综合测试系统

随着计算机技术和网络技术的迅猛发展,虚拟实验室和网络实验室已逐渐替代了传统模式的实验室.本文探讨了电子技术教学中虚拟实验室和网络实验室的建设,给出了系统功能分析、硬件平台解决方案和网络组建模式,并且实现了局域网共享的虚拟综合测试系统的各个功能,为电子技术实验室的建设提出了一种成本较低、功能可扩、形式新颖的途径.     

一种基于TDMA的Ad Hoc网络的虚电路建立协议

为了实现网络中端到端的可靠传输,在基于TDMA的Ad Hoc网络里引入一种虚电路建立协议.该协议采用分布式的资源预约方式建立虚电路,对于网络拓扑变化所引起的链路故障,能够及时发现和处理,且具有相对较小的开销和较高的可靠性,比较适合Ad Hoc网络.     

网格技术在视频会议系统中的应用初探

网格(Grid)是近年来兴起的一个研究热点。他旨在使互联网上所有资源(计算资源、存储资源、通信资源、软件资源、信息资源、知识资源等)实现全面共享与协同工作，使整个因特网整合成一台巨大的超级计算机，为用户提供一个有效的平台，支持全球范围内分布异构应用程序的运行。本文不仅介绍了网格技术的涵义、特．最、功能，并且从网格技术能支持异构结点在网络环境下的分布动态协同工作的角度出发，给出了基于网格平台的通用视频会议系统的设计构想。