Excited-Ground State Transition of RNA Strand Slippage Mechanism Captured by Base-specific Force Field
Published in Journal of Chemical Theory and Computation, 2024
Recommended citation: J. Chem. Theory Comput. 2024, 20, 14, 6082–6097 https://pubs.acs.org/doi/10.1021/acs.jctc.4c00497
Our results of capturing the strand slippage, excited-ground transition, de novo folding, and simulations for various typical RNA motifs indicate that BSFF2 should be one of valuable tools for dynamic conformation research and structure prediction of RNA, and a future contribution to RNA-targeted drug design as well as RNA therapy development.