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A Interactive Molecular Modeling System Based on Web Service

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Part of the book series:Lecture Notes in Computer Science ((LNAI,volume 3613))

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Abstract

We propose a molecular modeling system based on web services. It visualizes three dimensional models of molecules and allows scientists observe and manipulate the molecular models “interactively” through the web. Scientists can examine, magnify, translate, rotate, combine and split the three dimensional molecular models. The real-time simulations are executed in order to validate the operations. We developed a distributed processing system for the real-time simulation.The proposed communication scheme reduces data traffics in the distributed processing system. The new job scheduling algorithm enhances the performance of the system. Thus, the scientists can interactively exercise molecular modeling procedures through the web. For the experiments, HIV-1 (Human Immunodeficiency Virus) was selected as a receptor and fifteen candidate materials were used as ligands. An experiment of measuring performance of the system showed that the proposed system was good enough to be used in molecular modeling on the web.

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Author information

Authors and Affiliations

  1. CAESIT/Department of Computer Science & Engineering, Konkuk University, Seoul, Korea

    Sungjun Park & Bosoon Kim

  2. CAESIT/Department of Internet & Multimedia, Konkuk University, Seoul, Korea

    Jee-In Kim

Authors
  1. Sungjun Park

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  2. Bosoon Kim

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  3. Jee-In Kim

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Editor information

Editors and Affiliations

  1. School of Electrical and Electronic Engineering, Nanyang Technological University, Block S1, Nanyang Avenue, 639798, Singapore

    Lipo Wang

  2. Honda Research Institute Europe GmbH, Offenbach/Main, Germany

    Yaochu Jin

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© 2005 Springer-Verlag Berlin Heidelberg

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Park, S., Kim, B., Kim, JI. (2005). A Interactive Molecular Modeling System Based on Web Service. In: Wang, L., Jin, Y. (eds) Fuzzy Systems and Knowledge Discovery. FSKD 2005. Lecture Notes in Computer Science(), vol 3613. Springer, Berlin, Heidelberg. https://doi.org/10.1007/11539506_139

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