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A Bottom-Up Coarse-Grained Model for Nucleosome–Nucleosome Interactions with Explicit Ions

Tiedong Sun, Vishal Minhas, Alexander Mirzoev, Nikolay Korolev, Alexander P. Lyubartsev, Lars Nordenskiöld

2022Journal of Chemical Theory and Computation27 citationsDOIOpen Access PDF

Abstract

) for systems comprising 20 NCPs. The results of the simulations reveal structural details of the NCP-NCP interactions unavailable from experimental approaches, and this model opens the prospect for the rigorous modeling of chromatin fibers.

Topics & Concepts

NucleosomeComputer scienceIonChemistryHistoneDNABiochemistryOrganic chemistryDNA and Nucleic Acid ChemistryBacteriophages and microbial interactionsAdvanced biosensing and bioanalysis techniques
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