Dynamics of DNA : a quantum-chemical study

J.J.C. van Lier, L.H. Koole, H.M. Buck

Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer review

9 Citaten (Scopus)
7 Downloads (Pure)


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.
Originele taal-2Engels
Pagina's (van-tot)148-154
TijdschriftRecueil des Travaux Chimiques des Pays-Bas
Nummer van het tijdschrift3
StatusGepubliceerd - 1983


Citeer dit