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Biomolecular Simulations pp 215–241Cite as

Polarizable Force Fields

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Part of the book series: Methods in Molecular Biology ((MIMB,volume 924))

Abstract

This chapter provides an overview of the most common methods for including an explicit description of electronic polarization in molecular mechanics force fields: the induced point dipole, shell, and fluctuating charge models. The importance of including polarization effects in biomolecular simulations is discussed, and some of the most important achievements in the development of polarizable biomolecular force fields to date are highlighted.

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Acknowledgements

We would like to thank Jaakko Uusitalo and Praveen Nedumpully for their criticism and suggestions on the manuscript. Financial support from the Academy of Finland is gratefully acknowledged.

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Authors and Affiliations

  1. Department of Chemistry, Aalto University, Espoo, Finland

    Hanne S. Antila

  2. Department of Applied Physics, Aalto University, Espoo, Finland

    Emppu Salonen

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  1. Hanne S. Antila
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Editors and Affiliations

  1. DSIMB, UMR-S 665, INSERM, rue Alexandre Cabanel 6, Paris, 75015, France

    Luca Monticelli

  2. , Department of Applied Physics, Aalto University, Otakaari, AALTO, FI-00076, Finland

    Emppu Salonen

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Antila, H.S., Salonen, E. (2013). Polarizable Force Fields. In: Monticelli, L., Salonen, E. (eds) Biomolecular Simulations. Methods in Molecular Biology, vol 924. Humana Press, Totowa, NJ. https://doi.org/10.1007/978-1-62703-017-5_9

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  • DOI: https://doi.org/10.1007/978-1-62703-017-5_9

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