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A Multiscale Computational Model for Simulating the Kinetics of Protein Complex Assembly

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Protein Complex Assembly

Part of the book series: Methods in Molecular Biology ((MIMB,volume 1764))

Abstract

Proteins fulfill versatile biological functions by interacting with each other and forming high-order complexes. Although the order in which protein subunits assemble is important for the biological function of their final complex, this kinetic information has received comparatively little attention in recent years. Here we describe a multiscale framework that can be used to simulate the kinetics of protein complex assembly. There are two levels of models in the framework. The structural details of a protein complex are reflected by the residue-based model, while a lower-resolution model uses a rigid-body (RB) representation to simulate the process of complex assembly. These two levels of models are integrated together, so that we are able to provide the kinetic information about complex assembly with both structural details and computational efficiency.

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Acknowledgments

This work was supported in part by the National Institutes of Health (Grant No. R01GM120238) and a start-up grant from the Albert Einstein College of Medicine.

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Authors and Affiliations

  1. Department of Systems and Computational Biology, Albert Einstein College of Medicine, Bronx, NY, USA

    Jiawen Chen & Yinghao Wu

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  1. Jiawen Chen
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  2. Yinghao Wu
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Correspondence to Yinghao Wu .

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Editors and Affiliations

  1. MRC Human Genetics Unit, Institute of Genetics & Molecular Medicine, University of Edinburgh, Edinburgh, United Kingdom

    Joseph A. Marsh

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Chen, J., Wu, Y. (2018). A Multiscale Computational Model for Simulating the Kinetics of Protein Complex Assembly. In: Marsh, J. (eds) Protein Complex Assembly. Methods in Molecular Biology, vol 1764. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-7759-8_26

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  • DOI: https://doi.org/10.1007/978-1-4939-7759-8_26

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  • Publisher Name: Humana Press, New York, NY

  • Print ISBN: 978-1-4939-7758-1

  • Online ISBN: 978-1-4939-7759-8

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