Abstract
| Original language | English |
|---|---|
| Pages (from-to) | 148-154 |
| Journal | Recueil des Travaux Chimiques des Pays-Bas |
| Volume | 102 |
| Issue number | 3 |
| DOIs | |
| Publication status | Published - 1983 |
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Dynamics of DNA : a quantum-chemical study. / van Lier, J.J.C.; Koole, L.H.; Buck, H.M.
In: Recueil des Travaux Chimiques des Pays-Bas, Vol. 102, No. 3, 1983, p. 148-154.Research output: Contribution to journal › Article › Academic › peer-review
TY - JOUR
T1 - Dynamics of DNA : a quantum-chemical study
AU - van Lier, J.J.C.
AU - Koole, L.H.
AU - Buck, H.M.
PY - 1983
Y1 - 1983
N2 - On the basis of CNDO-2 and MNDO quantumchemical calculations we suggest that direct generation of Pv trigonal bipyramidal (TBP) intermediates, in pC and pT fragments of ds DNA with repetitive purine-pyrimidine sequences, results in the B ¿ Z transition via a selective pathway. The calculations reveal that 5'-d(GpC), 5'-d(GpT), 5'-d(ApC) and 5'-d(ApT) fragments are selected to initiate the B ¿ Z transition. We therefore suggest that the cooperative B ¿ Z transition can only proceed in helices having repetitive GC, GT, AC or AT sequences.
AB - On the basis of CNDO-2 and MNDO quantumchemical calculations we suggest that direct generation of Pv trigonal bipyramidal (TBP) intermediates, in pC and pT fragments of ds DNA with repetitive purine-pyrimidine sequences, results in the B ¿ Z transition via a selective pathway. The calculations reveal that 5'-d(GpC), 5'-d(GpT), 5'-d(ApC) and 5'-d(ApT) fragments are selected to initiate the B ¿ Z transition. We therefore suggest that the cooperative B ¿ Z transition can only proceed in helices having repetitive GC, GT, AC or AT sequences.
U2 - 10.1002/recl.19831020305
DO - 10.1002/recl.19831020305
M3 - Article
VL - 102
SP - 148
EP - 154
JO - Recueil des Travaux Chimiques des Pays-Bas
JF - Recueil des Travaux Chimiques des Pays-Bas
SN - 0165-0513
IS - 3
ER -