Advances in force fields for nucleic acids, coupled with an increasing ability to reproducibly converge conformational ensembles, are transforming our ability to model nucleic acid structure, dynamics, and interactions with other molecules. We can more reliably match experimental data and better understand complex dynamics and confornational changes related to change in the environment, leading to better understanding of their function. We will hlghlight recent successes in modeling RNA-drug and protein-nucleic acid interactions and provide a summary of the state of the art in atomistic modeling of nucleic acids.

Light at the end of the tunnel in modeling RNA structure, dynamics and interactions

251st National Meeting (2016)

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