Benchmarking Molecular Dynamics Force Fields for All-Atom Simulations of Biological Condensates
K. Sarthak, D. N. Winogradoff, Y. Ge, S. Myong, A. Aksimentiev
This study benchmarks molecular dynamics force fields for simulating biological condensates, finding that combined protein and RNA force fields with a common water model best describe RNA-protein interactions and protein conformations.
bioRxiv · Feb 9, 2023Biophysics