Multipolar Description of Atom–Atom Electrostatic Interaction Energies in Single/Double-Stranded DNAs

Y Yuan, Y Ma, D Huo, MJL Mills, J Wei… - The Journal of …, 2020 - ACS Publications
Molecular force field simulation is an effective method to explore the properties of DNA
molecules in depth. Almost all current popular force fields calculate atom–atom electrostatic …

Solution structure of macromolecules using small angle neutron scattering and molecular simulations

JS Bhatt - EPJ Web of Conferences, 2020 - epj-conferences.org
An introductory account of using molecular simulations to deduce solution structure of
macromolecules using small angle neutron scattering data is presented for biologists. The …