A coarse-grained DNA model parameterized from atomistic simulations by inverse Monte Carlo

• Main Authors: Korolev, Nikolay, Luo, Di, Lyubartsev, Alexander P., Nordenskiöld, Lars
• Other Authors: School of Biological Sciences
• Format: Article
• Language: English
• Published: 2014
• Subjects: DRNTU::Science::Biological sciences
• Online Access: https://hdl.handle.net/10356/103822; http://hdl.handle.net/10220/20023
• Institution: Nanyang Technological University

Computer modeling of very large biomolecular systems, such as long DNA polyelectrolytes or protein-DNA complex-like chromatin cannot reach all-atom resolution in a foreseeable future and this necessitates the development of coarse-grained (CG) approximations. DNA is both highly charged and mechanica...