Modeling DNA flexibility : comparison of force fields from atomistic to multiscale levels

• Main Authors: Minhas, Vishal, Sun, Tiedong, Mirzoev, Alexander, Korolev, Nikolay, Lyubartsev, Alexander P., Nordenskiöld, Lars
• Other Authors: School of Biological Sciences
• Format: Article
• Language: English
• Published: 2020
• Subjects: Science::Mathematics::Applied mathematics::Simulation and modeling+; DNA; Amber
• Online Access: https://hdl.handle.net/10356/143879
• Institution: Nanyang Technological University

Accurate parametrization of force fields (FFs) is of ultimate importance for computer simulations to be reliable and to possess a predictive power. In this work, we analyzed, in multi-microsecond simulations of a 40-base-pair DNA fragment, the performance of four force fields, namely, the two recent...