Table II.

Total energies (Hartree) and binding energies (kcal/mol) between single-strands for the B-form double-strands having the base sequence 5’-CAG-3’. The binding energy was appropriately corrected by the counterpoise (CP) calculations [12, 13] and denoted such as CP-RNA and PNA-CP. The double-strands are listed in decreasing order of binding energy.

Total energy			Binding energy
PNA-RNA	CP-RNA	PNA-CP	PNA-RNA
−7011.054	−4070.382	−2940.552	−74.7
LNA-LNA	CP-LNA	LNA-CP	LNA-LNA
−8461.846	−4237.481	−4224.248	−73.6
RNA-DNA	CP-DNA	RNA-CP	RNA-DNA
−8007.237	−3884.229	−4122.892	−73.5
LNA-DNA	CP-DNA	LNA-CP	LNA-DNA
−8121.823	−3884.228	−4237.480	−72.2
PNA-DNA	CP-DNA	PNA-CP	PNA-DNA
−6824.213	−3883.616	−2940.483	−71.5
LNA-RNA	CP-RNA	LNA-CP	LNA-RNA
−8307.992	−4070.387	−4237.492	−70.9
PNA-LNA	CP-LNA	PNA-CP	PNA-LNA
−7164.875	−4224.212	−2940.552	−69.7
PNA-PNA	CP-PNA	PNA-CP	PNA-PNA
−5867.590	2927.264	−2940.216	−69.1
DNA-DNA	CP-DNA	DNA-CP	DNA-DNA
−7781.209	−3883.613	−3897.492	−65.7
RNA-RNA	CP-RNA	RNA-CP	RNA-RNA
−8193.385	−4070.357	−4122.933	−59.7