A method for rapidly assessing and refining simple solvent treatments in molecular modelling. Example studies on the antigen-combining loop H2 from FAB fragment McPC603

Different simple solvent models have been implemented in anextended simulated annealing process (ESAP), developed by Higoet al. [(1992) Biopolymers, 32, 33–43] and proven to beable to predict ab initio the conformation of the antigen-combiningloop H2 from FAB McPC603. Hie rationale used here provides auseful new method for testing solvent models in general. Thedifferent solvent models comprise a high dielectric constant,a screened coulomb potential, a dummy water model and a statisticalcontinuum treatment of the solvent effect in which the reactionfield and the solvent accessible area is accounted for. To assessthe effect of the solvent, we tested the ability of simulationsto retain the experimental conformation of loop H2. We comparedthe different structures obtained at the end of the annealingprocess in terms of root mean square deviation (r.m.s.d.), forboth the backbone and for all atoms, root mean square (r.m.s.)fluctuation, solvent accessible surface area (ASA), hydrogenbonding network and - plot distribution. The relationship betweenthe r.m.s.d. and the internal energy of a structure is alsoevaluated in terms of precision and another possible methodfor obtaining the best conformation is discussed. The accuracyof modelling the coarse effect of the solvent and the similaritiesof the resulting structures with respect to the X-ray referencestructure are examined. The possible choice of one of thesesolvent models in the structure determination of an unknownloop structure is discussed     

Improvisation of Node Mobility Using Cluster Routing-based Group Adaptive in MANET

In today's Internet routing infrastructure, designers have addressed scaling concerns in routing constrained multiobjective optimization problems examining latency and mobility concerns as a secondary constrain. In tactical Mobile Ad-hoc Network (MANET), hubs can function based on the work plan in various social affairs and the internally connected hubs are almost having the related moving standards where the topology between one and the other are tightly coupled in steady support by considering the touchstone of hubs such as a self-sorted out, self-mending and self-administration. Clustering in the routing process is one of the key aspects to increase MANET performance by coordinating the pathways using multiple criteria and analytics. We present a Group Adaptive Hybrid Routing Algorithm (GAHRA) for gathering portability, which pursues table-driven directing methodology in stable accumulations and on-request steering strategy for versatile situations. Based on this aspect, the research demonstrates an adjustable framework for commuting between the table-driven approach and the on-request approach, with the objectives of enhancing the output of MANET routing computation in each hub. Simulation analysis and replication results reveal that the proposed method is promising than a single well-known existing routing approach and is well-suited for sensitive MANET applications.     

Tariff reduction as a tool to increase the efficiency of electricity distributors: A case study in southern Brazil

The article aims to evaluate the consumer response to a reduction in the electricity tariffs as a hourly economic signal for the case of an electric utility in the state of Rio Grande do Sul, southern Brazil. Using Differences-in-differences method, the results were robust in showing that the change in the economic signal increased up to 81.01% the consumption at the time influenced by the change, improving the way in which the company's assets are used, in addition to reducing fuel oil consumption by users.     

基于AEM法的爆破拆除倒塌过程的数值模拟

利用应用单元法(AEM法),以含填充墙的某多层框架结构定向爆破拆除为例,进行倒塌过程的数值模拟。结果表明:在框架结构爆破切口形成后,结构由于重力作用逐渐沿横向偏转,并在横向最外侧的一排柱上形成活动铰,产生翻转倒塌,模拟结果与实际倒塌结果基本相符。在倒塌的过程中,结构爆破切口的横向很快进入大变形倒塌,同时引起横向隔墙的平面失去稳定而倒塌。落地的倒塌碎块,在纵向产生150kN左右的峰值冲击力,在横向产生30~50kN的峰值冲击力。基于仿真结果,可以定量设置防护措施,避免安全隐患。     

论株洲产业结构的调整与优化

从株洲产业结构的现状与特征出发,对如何进一步调整优化株洲的产业结构进行了探讨,提出了调整优化的产业结构的基本方针和对策。     

构建信息对抗专业的知识体系和实践教学体系

针对我校信息对抗技术专业的发展方向和培养定位,结合我校办学特色,提出该专业的知识体系和实践教学体系。通过对当前现状和存在问题的分析,研究探讨符合实际的专业教学和人才培养模式。     

一种新型的加固计算机箱设计

介绍了一种新型加固计算机机箱,其独特的双层箱体结构,使它适合在各种复杂恶劣的环境条件下使用。通过设计实践,阐述了该箱体的结构特点和密封、隔振缓冲、电磁兼容等方面的具体解决方法,特别是箱体成型和综合热设计等关键技术。经环境试验和工程实际应用的检验,证明其具有较好的综合防护性能。     

创意——产品造型设计的灵魂

随着计算机在各个领域中的普遍应用,产品设计创意中平面表达和立体表达的基础训练慢慢地在设计中被忽略淡化,使不少设计者和在校的学生放松了对平面表达和立体表达基础的学习和研究应用。不少人在学习和实践时,时常遇到有好的创意、好的想法、好的构思却表达不清楚的现象存在。所以产品设计创意中"两个表达(平面表达、立体表达)"依然发挥着不可替代的重要作用,它是集艺术与科学技术为一体的综合性学科,是产品设计的"精髓和灵魂"所在。     

无锡惠山泥人的造型特征研究

无锡惠山泥人历史悠久,造型优美传神,是我国民间工艺的精粹。论文通过对无锡惠山泥人的造型特征进行分析,总结出其造型、色彩、及构图上的规律,以此为实例分析推动传统工艺文化的保护和发展。