Dynamics of DNA : a quantum-chemical study

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

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Abstract

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.
Original languageEnglish
Pages (from-to)148-154
JournalRecueil des Travaux Chimiques des Pays-Bas
Volume102
Issue number3
DOIs
Publication statusPublished - 1983

Fingerprint

DNA
2'-deoxyguanylyl-(3'-5')-2'-deoxycytidine
purine
pyrimidine
2'-deoxyadenylyl-(3'-5')-thymidine

Cite this

van Lier, J.J.C. ; Koole, L.H. ; Buck, H.M. / Dynamics of DNA : a quantum-chemical study. In: Recueil des Travaux Chimiques des Pays-Bas. 1983 ; Vol. 102, No. 3. pp. 148-154.
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abstract = "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.",
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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 journalArticleAcademicpeer-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 -