Transaction of the Japan Society for Simulation Technology
Online ISSN : 1883-5058
Print ISSN : 1883-5031
ISSN-L : 1883-5058
Volume 4, Issue 2
Displaying 1-3 of 3 articles from this issue
Paper
  • Takanori Komatsu, Akira Namatame
    2012 Volume 4 Issue 2 Pages 33-40
    Published: 2012
    Released on J-STAGE: October 02, 2012
    JOURNAL FREE ACCESS
      Which social network structures are suitable for diffusion of innovation, new products, or new convention? There are many papers to answer this question. The main stream of the study is to find the relationship between social network structure and diffusion rate of innovation. In this paper we show relation between network structure and cascade phenomena and three characteristic elements(maximum eigenvalue of adjacency matrix of the social network, the number of innovator and the deployment of innovator)decide the dynamics of cascade phenomena.
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  • Yoichiro Yagi, Yousuke Hattori, Yoshinobu Naoshima
    2012 Volume 4 Issue 2 Pages 41-50
    Published: 2012
    Released on J-STAGE: November 23, 2012
    JOURNAL FREE ACCESS
      We have carried out a large-scale biomolecular quantum chemical computation on the complexes of HIV-1 protease with six different peptidomimetic HIV-1 inhibitors by employing the ab initio fragment molecular orbital (FMO) method at MP2/6-31G calculation level, in order to clarify a relationship between the computed binding energy ΔE for the HIV-1 protease complexes and the clinically measured pharmacokinetic parameters such as maximum drug concentration (Cmax) and area under the drug concentration-time curve (AUC), both of which may be used as indications for drug effects of HIV-1 inhibitors. The FMO calculations indicate that the inhibitor bearing a negatively large binding energy has relatively large values of Cmax and AUC. In addition, similar FMO computations on the complexes of a human protease renin with two HIV-1 protease inhibitors, Ritonavir and Saquinavir, show that the binding energy for Ritonavir with many side effects is negatively larger than that for Saquinavir with few side effects.
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  • Takeshi Ishida
    2012 Volume 4 Issue 2 Pages 51-61
    Published: 2012
    Released on J-STAGE: November 23, 2012
    JOURNAL FREE ACCESS
      Renewable energy resources are generally unstable and affect the performance of electricity grids when they are fully connected. A distributed energy supply network system is expected to overcome the above problem. Such a system consists of a network system in which electricity and heat can be transferred between dispersion generators and the renewable energy resources and can supply stable energy to an urban district. We have constructed a self-organization model for the formation of dispersion energy network. We demonstrated that the following 2 functions can be realized by the multi-agent model which has rules for introduction of energy facilities (fuel cell cogeneration system (CGS), heat pump system (HP), photovoltaic (PV) systems and conventional system). 1) Energy exchange was achieved between neighbor houses and surplus energy was consumed in urban district. 2) “Energy colony” is formed for self-organizing.
      Our simulation results indicated that stable energy exchange was possible when “Energy colony” was formed in the district. It is considered that it is possible to construct self-organization energy network in a real dynamic urban energy environment by applying the facility replacement rules determined in this study.
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