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A Genetic Algorithm Based Method for Molecular Docking

  • Conference paper
Advances in Natural Computation (ICNC 2005)

Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 3611))

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Abstract

The essential of Molecular docking problem is to find the optimum conformation of ligand bound with the receptor at its active site. Most cases the optimum conformation has the lowest interaction energy. So the molecular docking problem can be treated as a minimization problem. An entropy-based evolution model for molecular docking is proposed in this paper. The model of molecular docking is based on a multi-population genetic algorithm. Two molecular docking processes are investigated to demonstrate the efficiency of the proposed model.

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References

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Author information

Authors and Affiliations

  1. School of Computer Science and Technology, Changchun University, Changchun, 130022, China

    Chun-lian Li & Dong-yun Long

  2. Institute of Special Education, Changchun University, Changchun, 130022, China

    Yu Sun

  3. State Key Laboratory of Analysis for Industrial Equipment, Dalian University of Technology, Dalian, 116023, China

    Xi-cheng Wang

Authors
  1. Chun-lian Li
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  2. Yu Sun
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  3. Dong-yun Long
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  4. Xi-cheng Wang
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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. School of Software, Sun Yat-Sen University, 510275, Guangzhou, China

    Ke Chen

  3. School of Computer Engineering, Nanyang Technological University, BLK N4, 2b-39, Nanyang Avenue, 639798, Singapore

    Yew Soon Ong

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© 2005 Springer-Verlag Berlin Heidelberg

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Li, Cl., Sun, Y., Long, Dy., Wang, Xc. (2005). A Genetic Algorithm Based Method for Molecular Docking. In: Wang, L., Chen, K., Ong, Y.S. (eds) Advances in Natural Computation. ICNC 2005. Lecture Notes in Computer Science, vol 3611. Springer, Berlin, Heidelberg. https://doi.org/10.1007/11539117_156

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  • DOI: https://doi.org/10.1007/11539117_156

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-28325-6

  • Online ISBN: 978-3-540-31858-3

  • eBook Packages: Computer ScienceComputer Science (R0)

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