The MARTINI force field: Coarse Grained Model for Biomolecular Simulations

The MARTINI force field: Coarse Grained Model for Biomolecular Simulations

2007 | Siewert J. Marrink, H. Jelger Risselada, Serge Yefimov, D. Peter Tieleman, Alex H. de Vries
The MARTINI force field is an improved and extended coarse-grained (CG) model for biomolecular simulations, developed by Marrink et al. The new version, MARTINI 2.0, is parametrized systematically based on the reproduction of partitioning free energies between polar and apolar phases of various chemical compounds. This approach ensures broader applicability without the need for reparametrization. The model includes more interaction energy levels and particle types, allowing for a more accurate representation of chemical functionalities. Key improvements include better handling of ring structures, antifreeze particles to prevent unwanted freezing, and adjustments to the hydration strength of phosphate moieties to enhance the spontaneous curvature of lipids. The MARTINI force field has been validated through simulations of lipid bilayers, showing improved behavior in stress profiles, pore formation, and lamellar-to-micellar transitions. It also accurately reproduces thermodynamic properties such as interfacial tension and partitioning free energies, demonstrating its reliability for a wide range of applications in biomolecular simulations.The MARTINI force field is an improved and extended coarse-grained (CG) model for biomolecular simulations, developed by Marrink et al. The new version, MARTINI 2.0, is parametrized systematically based on the reproduction of partitioning free energies between polar and apolar phases of various chemical compounds. This approach ensures broader applicability without the need for reparametrization. The model includes more interaction energy levels and particle types, allowing for a more accurate representation of chemical functionalities. Key improvements include better handling of ring structures, antifreeze particles to prevent unwanted freezing, and adjustments to the hydration strength of phosphate moieties to enhance the spontaneous curvature of lipids. The MARTINI force field has been validated through simulations of lipid bilayers, showing improved behavior in stress profiles, pore formation, and lamellar-to-micellar transitions. It also accurately reproduces thermodynamic properties such as interfacial tension and partitioning free energies, demonstrating its reliability for a wide range of applications in biomolecular simulations.
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