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The Martini Coarse-Grained Force Field

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Book cover Biomolecular Simulations

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

Abstract

The Martini force field is a coarse-grained force field suited for molecular dynamics simulations of biomolecular systems. The force field has been parameterized in a systematic way, based on the reproduction of partitioning free energies between polar and apolar phases of a large number of chemical compounds. In this chapter the methodology underlying the force field is presented together with details of its parameterization and limitations. Then currently available topologies are described with a short overview of the key elements of their parameterization. These include the new polarizable Martini water model. A set of three selected ongoing studies using the Martini force field is presented. Finally the latest lines of development are discussed.

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Acknowledgments

The authors would like to thank the many people that have directly and indirectly contributed to the development of the Martini force field. In particular Alex de Vries and all the past and present members of the MD group in Groningen are acknowledged for their dynamism and enthusiasm in using, criticizing and improving Martini, as well as the groups of Peter Tieleman, Luca Monticelli, and Ilpo Vattulainen. Clement Arnarez, Martti Louhivuori, Lars Schafer, and Durba Sengupta provided data and images for the figures.

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Authors and Affiliations

  1. Groningen Biomolecular Sciences and Biotechnology Institute & Zernike Institute for Advanced Materials, University of Groningen, Groningen, The Netherlands

    Xavier Periole & Siewert-Jan Marrink

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  1. Xavier Periole
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  2. Siewert-Jan Marrink
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Correspondence to Siewert-Jan Marrink .

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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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Periole, X., Marrink, SJ. (2013). The Martini Coarse-Grained Force Field. 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_20

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