Structure and the energy of base pairing in non-natural bases of nucleic acids: the azaguanine–cytosine and azaadenine–thymine base pairs

Autor: Contreras, J.Guillermo, Madariaga, Sandra T.

Publikováno v: In Bioorganic Chemistry 2003 31(5):367-377

Bioactive Four-Membered Heterocyclic Compounds: The Anti → Syn Interconversion in Dithietane-1,3-dioxide

Autor: Contreras, J.Guillermo, Madariaga, Sandra T.

Publikováno v: In Bioorganic Chemistry April 2001 29(2):57-64

INTERACTION ENERGIES IN NON WATSON-CRICK PAIRS: AN AB INITIO STUDY OF G·U AND U·U PAIRS

Autor: MADARIAGA, SANDRA T, CONTRERAS, J.GUILLERMO, SEGUEL, C.GLORIA

Publikováno v: Journal of the Chilean Chemical Society, Volume: 50, Issue: 1, Pages: 435-438, Published: MAR 2005

Ab initio calculations at the MP2/6-31G** level have been carried out on the non-Watson-Crick nucleic acids pairs G·U and U·U to obtain the interaction energies and to see whether the derived values are comparable or not with the canonical G-C, A-T

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______614::ea9b23a89c51681cbe469b9a00238908
http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072005000100013&lng=en&tlng=en

SOLVENT EFFECT ON THE VALENCE TAUTOMERISM OF BENZENE OXIDE/OXEPIN MOLECULAR SYSTEM

Autor: CONTRERAS, J.GUILLERMO, MADARIAGA, SANDRA T.

Publikováno v: Boletín de la Sociedad Chilena de Química v.46 n.4 2001
SciELO Chile
CONICYT Chile
instacron:CONICYT
Boletín de la Sociedad Chilena de Química, Volume: 46, Issue: 4, Pages: 471-480, Published: DEC 2001

Thermodynamic parameters for the benzene oxide oxepin system have been calculated at MP4(SDQ)/6-31+G**//HF/6-31G** level of theory. The calculated enthalpy for this valence tautomeric equilibrium differs from that reported by Vogel et al in 1967, but

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::fa5d34ed94cf835f4078e1b80fb84f35
http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0366-16442001000400011

Azaguanine: A Theoretical Study of Its Tautomerism and Protonation in the Gas Phase and Aqueous Solution

Autor: Contreras, J.Guillermo, Madariaga, Sandra T.

Publikováno v: Bioorganic Chemistry; December 1998, Vol. 26 Issue: 6 p345-355, 11p