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

当前力场在描述RNA-配体复合物方面的成功与局限性

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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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