Work

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

Year: 2025

Type: article

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.

Source: The Journal of Physical Chemistry B

DOI: 10.1021/acs.jpcb.5c05262

Authors: Paula Fernández Migens, Israel Serrano-Chacón, Modesto Orozco, Federica Battistini

Institutions: Institute for Research in Biomedicine, Universitat de Barcelona

Language: English

Topic: RNA and protein synthesis mechanisms

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: hybrid