An empirical formula for thermal stability (T-m) prediction of PNA/DNA
duplexes has been derived. The model is based on the T-m as calculate
d for the corresponding DNA/DNA duplex employing a nearest neighbour a
pproach, by including terms for the pyrimidine content and length of t
he PNA to take into account the increased thermostability of PNA/DNA h
ybrids and the asymmetry of the PNA-DNA heteroduplex. The predictive p
ower of the T-m prediction formula was challenged with an independent
data set not used for model building. The T-m of >90% of the sequences
was predicted within 5 K; 98% of the predicted T(m)s differ by not mo
re than 10 K from the experimentally determined T-m.