In the mid 1990’s we performed comprehensive studies of the stacking properties of RNA and DNA dinucleotides using PMF calculations with the then current CHARMM nucleic acid all-atom force field.<br/><br/>In the quarter century that has passed the force field has been improved several times, and here a comparison of the performance of the newer CHARMM nucleic acid force fields for nucleobase stacking will be presented.

Nucleobase stacking revisited

ACS Spring 2022

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