Ab initio research on DNA base alkylation by the b-position metabolite of methylethylnitrosamine

2004 ◽  
Vol 49 (14) ◽  
pp. 1450 ◽  
Author(s):  
Lijiao ZHAO
Keyword(s):  
Ab Initio ◽  
Dna Base

On the change of the order od stability of DNA base pairs as a result of the methylation of guanine

1988 ◽  
Vol 53 (9) ◽  
pp. 1943-1945
Author(s):  
Pavel Hobza ◽  
Camille Sandorfy
Keyword(s):  
Ab Initio ◽  
Base Pairs ◽  
Dispersion Energy ◽  
Dna Base ◽  
Dna Base Pairs

The interaction of the 6-O methylguanine cation with cytosine and thymine was studied using the ab initio SCF method in combination with a London type expression for dispersion energy. The structure of the complex formed with cytosine differs from that found previously with guanine itself.

The Complexation of the Anticancer Drug ThioTEPA with Methylated DNA Base Guanine: Combined Ab Initio and QTAIM Investigation

2014 ◽  
Vol 33 (2) ◽  
pp. 104-114 ◽  
Author(s):  
Tymofii Yu. Nikolaienko ◽  
Leonid A. Bulavin ◽  
Leonid F. Sukhodub
Keyword(s):  
Ab Initio ◽  
Anticancer Drug ◽  
Methylated Dna ◽  
Dna Base

Ab initio calculations on simple heterocycles and DNA base-pair triplets

2003 ◽  
Vol 666-667 ◽  
pp. 123-129 ◽  
Author(s):  
G. Paragi ◽  
C. Van Alsenoy ◽  
B. Penke ◽  
Z. Timár
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Base Pair ◽  
Dna Base ◽  
Dna Base Pair

Does a Stacked DNA Base Pair Hydrate Better than a Hydrogen-Bonded One?:  An ab Initio Study

2000 ◽  
Vol 104 (46) ◽  
pp. 10887-10894 ◽  
Author(s):  
D. Sivanesan ◽  
K. Babu ◽  
Shridhar R. Gadre ◽  
V. Subramanian ◽  
T. Ramasami
Keyword(s):  
Ab Initio ◽  
Base Pair ◽  
Ab Initio Study ◽  
Dna Base ◽  
Dna Base Pair ◽  
Better Than ◽  
Hydrogen Bonded

Modeling of DNA Base Interactions with Carbon Nanotubes: ab initio Calculations and SEIRA Data

2009 ◽  
Author(s):  
Galina Dovbeshko ◽  
Lilia M. Woods ◽  
Yaroslav Shtogun ◽  
Olena Fesenko ◽  
George Maroulis ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Dna Base

Nonempirical ab initio calculations on DNA base pairs

1996 ◽  
Vol 204 (2-3) ◽  
pp. 365-372 ◽  
Author(s):  
Jiří Šponer ◽  
Pavel Hobza
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs
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