Martini Coarse-Grained Force Field: Extension to DNA

We systematically parameterized a coarse-grained (CG) model for DNA that is compatible with the Martini force field. The model maps each nucleotide into six to seven CG beads and is parameterized following the Martini philosophy. The CG nonbonded interactions are based on partitioning of the nucleob...

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Veröffentlicht in:	Journal of chemical theory and computation 2015-08, Vol.11 (8), p.3932-3945
Hauptverfasser:	Uusitalo, Jaakko J, Ingólfsson, Helgi I, Akhshi, Parisa, Tieleman, D. Peter, Marrink, Siewert J
Format:	Artikel
Sprache:	eng
Schlagworte:	Beads Bonding Compatibility Computer simulation Deoxyribonucleic acid DNA - chemistry DNA, Single-Stranded - chemistry Hydrogen Bonding Molecular Dynamics Simulation Nucleic Acid Conformation Nucleotides Protein Binding Proteins - chemistry Proteins - metabolism Solvents
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