2026-04-13T02:06:36Zhttps://recercat.cat/oai/request

oai:recercat.cat:2445/2263082026-04-07T23:00:33Zcom_2072_1057col_2072_478781col_2072_478908col_2072_478917

Success and Limitations of Current Force Fields for the Description of RNA–Ligand Complexes Fernández Migens, Paula Serrano Chacón, Israel Orozco López, Modesto Battistini, Federica Estructura molecular Micro RNAs Molecular structure MicroRNAs 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. 2026-01-28T08:43:48Z 2026-01-28T08:43:48Z 2025-10-31 2026-01-28T08:43:48Z info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Reproducció del document publicat a: https://doi.org/10.1021/acs.jpcb.5c05262 Journal of Physical Chemistry B, 2025, vol. 129, num.45, p. 11679-11692 https://doi.org/10.1021/acs.jpcb.5c05262 cc by (c) Fernández Migens, Paula et al., 2025 http://creativecommons.org/licenses/by/4.0/ info:eu-repo/semantics/openAccess American Chemical Society Articles publicats en revistes (Bioquímica i Biomedicina Molecular)