| ŠPONER, Judit, Alvaro VAZQUEZ-MAYAGOITIA, Bobby SUMPTER, Jerzy LESZCZYNSKI, Jiří ŠPONER, Michal OTYEPKA, Pavel BANÁŠ a Miguel FUENTES-CABRERA. Theoretical Studies on the Intermolecular Interactions of Potentially Primordial Base-Pair Analogues. Chemistry – A European Journal. 2010, roč. 16, č. 10, s. 3057-3065. ISSN 0947-6539. |
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@article{877127,
author = {Šponer, Judit and VazquezandMayagoitia, Alvaro and Sumpter, Bobby and Leszczynski, Jerzy and Šponer, Jiří and Otyepka, Michal and Banáš, Pavel and FuentesandCabrera, Miguel},
article_number = {10},
keywords = {quantum chemistry; base pairing; molecular dynamics},
language = {eng},
issn = {0947-6539},
journal = {Chemistry – A European Journal},
title = {Theoretical Studies on the Intermolecular Interactions of Potentially Primordial Base-Pair Analogues},
volume = {16},
year = {2010}
}
TY - JOUR
ID - 877127
AU - Šponer, Judit - Vazquez-Mayagoitia, Alvaro - Sumpter, Bobby - Leszczynski, Jerzy - Šponer, Jiří - Otyepka, Michal - Banáš, Pavel - Fuentes-Cabrera, Miguel
PY - 2010
TI - Theoretical Studies on the Intermolecular Interactions of Potentially Primordial Base-Pair Analogues
JF - Chemistry – A European Journal
VL - 16
IS - 10
SP - 3057-3065
EP - 3057-3065
SN - 09476539
KW - quantum chemistry
KW - base pairing
KW - molecular dynamics
N2 - Recent experimental studies on the Watson Crick type base pairing of triazine and aminopyrimidine derivatives suggest that acid/base properties of the constituent bases might be related to the duplex stabilities measured in solution. Herein we use high-level quantum chemical calculations and molecular dynamics simulations to evaluate the base pairing and stacking interactions of seven selected base pairs, which are common in that they are stabilized by two N_H O hydrogen bonds separated by one N_H N hydrogen bond.
ER -
ŠPONER, Judit, Alvaro VAZQUEZ-MAYAGOITIA, Bobby SUMPTER, Jerzy LESZCZYNSKI, Jiří ŠPONER, Michal OTYEPKA, Pavel BANÁŠ a Miguel FUENTES-CABRERA. Theoretical Studies on the Intermolecular Interactions of Potentially Primordial Base-Pair Analogues. \textit{Chemistry – A European Journal}. 2010, roč.~16, č.~10, s.~3057-3065. ISSN~0947-6539.
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