Below are the solvated Amber topology and coordinate files for test systems parameterized by modXNA included in the original publication.

Drew Dickerson Dodecamer (DDD)

Simple Model Systems:

• 219D: DNA/RNA hybrid with phosphorothioate

• 329D: dsDNA with 5-methyl cytosine

• 3CJZ: dsRNA with N2,N2-dimethylguanosine

Yeast Phenylalanine tRNA

siRNA: Unmodified

siRNA: Modified

Z-Form DNA