Indole ring binds to 7-methylguanine base by π-π stacking interaction
نویسندگان
چکیده
منابع مشابه
π-π stacking tackled with density functional theory
Through comparison with ab initio reference data, we have evaluated the performance of various density functionals for describing pi-pi interactions as a function of the geometry between two stacked benzenes or benzene analogs, between two stacked DNA bases, and between two stacked Watson-Crick pairs. Our main purpose is to find a robust and computationally efficient density functional to be us...
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In this study we investigate π-stacking interactions of a variety of aromatic heterocycles with benzene using dispersion corrected density functional theory. We calculate extensive potential energy surfaces for parallel-displaced interaction geometries. We find that dispersion contributes significantly to the interaction energy and is complemented by a varying degree of electrostatic interactio...
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Stability of the π-π stacking interactions in the Ben||substituted-coronene and HFBen||substituted-coronene complexes was studied using the computational quantum chemistry methods (where Ben and HFBen are benzene and hexaflourobenzene, || denotes π-π stacking interaction, substituted-coronene is coronene molecule which substituted with four X groups, and X= NH2, CH3, OH, H, F, CF3, CN and NO). ...
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Lately intense research interests have been focused on the electronic conductivity properties of transition-metal nanoparticles (e.g., Au, Pd, and Ag) that are passivated by an organic monolayer (i.e., the so-called monolayer-protected nanoparticles).1 With such a core-shell composite nanostructure, the resulting conductivity can be tailored by the combined effects of the conductive inorganic c...
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ژورنال
عنوان ژورنال: FEBS Letters
سال: 1986
ISSN: 0014-5793
DOI: 10.1016/0014-5793(86)80129-6