Success and Limitations of Current Force Fields for the Description of RNA-Ligand Complexes.

ABSTRACT: We present a systematic assessment of the last generation of RNA force fields to reproduce the structures and dynamics of ligand-RNA complexes. Our comprehensive analysis helped not only to define the more reliable force field to represent complex structures but also suggests details that can be improved and provide a critical analysis of the quality of experimental structures in complex systems that are expected to be very flexible and environment dependent.

SUBMITTER: Migens PF 

PROVIDER: S-EPMC12621256 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature