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2025-10-31

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cc by (c) Fernández Migens, Paula et al., 2025
Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/226308

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

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https://doi.org/10.1021/acs.jpcb.5c05262

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.

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Estructura molecular, Micro RNAs

Subject (English)

Molecular structure, MicroRNAs

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Articles publicats en revistes (Bioquímica i Biomedicina Molecular)
Articles publicats en revistes (Institut de Recerca Biomèdica (IRB Barcelona))

Citation

FERNÁNDEZ MIGENS, Paula, et al. Success and Limitations of Current Force Fields for the Description of RNA–Ligand Complexes. Journal of Physical Chemistry B. 2025. Vol. 129, num. 45, pags. 11679-11692. ISSN 1520-6106. [consulted: 18 of August of 2026]. Available at: https://hdl.handle.net/2445/226308

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