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. Author manuscript; available in PMC: 2016 Aug 11.
Published in final edited form as: J Chem Theory Comput. 2015 Aug 11;11(8):3714–3728. doi: 10.1021/acs.jctc.5b00271

Table 3.

RMSD between the inverse of GB effective radii and the inverse of PB ‘perfect’ radii (1/Å) for test sets

GB-neck GB-neck2 %reduced_error
A-form DNA (CGCGAATTCGCG)2 0.046 0.045 2%
B-form DNA (CGCGAATTCGCG)2 0.047 0.042 11%
A-form RNA (CCAACGUUGG)2 0.069 0.051 26%
B-form RNA (CCAACGUUGG)2 0.112 0.040 64%
A-form RNA (CGCGAAUUCGCG)2 0.069 0.050 28%
B-form RNA (CGCGAAUUCGCG)2 0.114 0.040 65%
DNA G-quadruplex (PDB ID: 1L1H) 0.067 0.062 7%
DNA-protein complex (PDB ID: 1GCC) 0.070 0.062 11%