著者

工藤 高裕

出版者

日本コンピュータ化学会

雑誌

Journal of Computer Chemistry, Japan (ISSN:13471767)

巻号頁・発行日

vol.14, no.1, pp.A3-A5, 2015 (Released:2015-03-30)

参考文献数

7

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Here I introduce some examples of molecular structures related to disease therapy. One is oseltamivir which is also given the trade name Tamiflu. The important processes of influenza infection are to ENTER the host cell and to GO OUT from it, and some of the antiviral medicines target these processes. The enzyme neuraminidase clips off a sialic acid from the cell membrane to assist the replicated viruses to go out. Tamiflu is a molecule with a similar structure to it which also binds to neuraminidase, and inhibits the enzyme function (Figure 1). In the case of mutant enzyme (H274Y), Tamiflu binds to it weaker than the wild type, so Tamiflu has less effect than the mutant type. The replaced 274th residue tyrosine is bulkier than the original amino acid histidine and causes orientation change of the amino acid at the active site (Figure 2). Another example is involved in Ebolavirus causing epidemics in West Africa. Although the effective therapeutic medicine and vaccine have not been found yet, the molecular structure of the antibody complex with virus glycoprotein from a human survivor is already deposited to PDB (Figure 3). Now scientists are searching for some effective chemicals and methods using this information.

著者

工藤 高裕

出版者

日本コンピュータ化学会

雑誌

Journal of Computer Chemistry, Japan (ISSN:13471767)

巻号頁・発行日

vol.14, no.5, pp.A34-A37, 2015 (Released:2015-12-18)

参考文献数

14

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Some molecular viewers that can visualize molecular structural data have been introduced. Those viewers can be generally classified into some categories, such as Java based, JavaScript based, WebGL based, for mobile and for PC. The Java based software that requires the Java Runtime Environment (JRE) is widely used both for a local application and an embedding one in web pages. The JavaScript based software only requires a web browser without JRE but the response speed is lower than the Java based one. The WebGL based softwares work more lightly than the formers, but I think so far there is no software with an advanced display controller such as a command interface. For mobile devices, some molecular viewers are provided from application distribution sites, such as Google Play and App Store. Many viewers for PC environment have some advanced controllers for changing expressions of molecular modeling images and drawing them in detail. As an example, a series of operating procedure scripts for creating a molecular image using a stand-alone application, called "jV", was introduced here.

著者

工藤 高裕 高橋 康弘 高松 巌 涌井 伸二

出版者

公益社団法人日本磁気学会

雑誌

日本応用磁気学会誌 (ISSN:18804004)

巻号頁・発行日

vol.30, no.3, pp.413-417, 2006-05-01

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This paper describes a robust design for a capacitance-drive-type linear electromagnetic solenoid (LES) using a quality engineering method and an exclusive dynamic analysis simulator. Reducing the variation in the performance significant by restrains the rise time of the current in the electromagnetic coil. In addition, the current should be kept above a specified level for a certain period. For this purpose, it is important to increase the inductance of the electromagnetic coil. In other words, it is necessary to increase the winding diameter and reduce the number of turns in order to reduce the variation in the performance. The validity of this robust design has been verified by experiments with actual solenoids. Consequently, it provides a high yield ratio.