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Modeling of Protein Complex Formation in Solution with Diffusion and Electrostatic Interactions

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Abstract

In the first versions of the direct multiparticle simulation method, protein interactions were treated as simple collisions, as described in Chap. 13. However, electron-carrying proteins have rather complicated shapes. To perform electron transfer, donor and acceptor carriers should form a complex in which the distance between the active sites must be small enough to support electron tunneling from the donor molecule to the acceptor molecule. Therefore, their proper mutual orientation in a complex stabilized by means of van der Waals and hydrophobic interactions, hydrogen bonds, and other biochemical interactions is necessary.

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Rubin, A., Riznichenko, G. (2014). Modeling of Protein Complex Formation in Solution with Diffusion and Electrostatic Interactions . In: Mathematical Biophysics. Biological and Medical Physics, Biomedical Engineering. Springer, Boston, MA. https://doi.org/10.1007/978-1-4614-8702-9_14

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  • DOI: https://doi.org/10.1007/978-1-4614-8702-9_14

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  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4614-8701-2

  • Online ISBN: 978-1-4614-8702-9

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