| KOZELKA, Jiří. Lone pair–pi interactions in biological systems: occurrence, function, and physical origin. European Biophysics Journal With Biophysics Letters. New York: Springer, vol. 46, No 8, p. 729-737. ISSN 0175-7571. doi:10.1007/s00249-017-1210-1. 2017. |
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@article{1396132,
author = {Kozelka, Jiří},
article_location = {New York},
article_number = {8},
doi = {http://dx.doi.org/10.1007/s00249-017-1210-1},
keywords = {Donor-acceptor systems; pi interactions; Ab initio calculations; Lone pair-pi interactions; Anion-pi interactions; Energy decomposition analysis},
language = {eng},
issn = {0175-7571},
journal = {European Biophysics Journal With Biophysics Letters},
title = {Lone pair–pi interactions in biological systems: occurrence, function, and physical origin},
volume = {46},
year = {2017}
}
TY - JOUR
ID - 1396132
AU - Kozelka, Jiří
PY - 2017
TI - Lone pair–pi interactions in biological systems: occurrence, function, and physical origin
JF - European Biophysics Journal With Biophysics Letters
VL - 46
IS - 8
SP - 729-737
EP - 729-737
PB - Springer
SN - 01757571
KW - Donor-acceptor systems
KW - pi interactions
KW - Ab initio calculations
KW - Lone pair-pi interactions
KW - Anion-pi interactions
KW - Energy decomposition analysis
N2 - Review article that attempts to highlight some recent discoveries evidencing the important role which lone-pair–pi interactions, and anion–pi interactions in particular, play in stabilizing structure and affecting function of biomolecules. Special attention is paid to studies exploring the physical origin of these at first glance counterintuitive interactions between a lone-pair of electrons of one residue and the pi-cloud of another residue. Recent theoretical work went beyond the popular electrostatic model and inquired to which extent orbital interactions have to be taken into account. At least in one biologically relevant case- in that of anion-flavin interactions- a substantial charge-transfer component has been shown to operate.
ER -
KOZELKA, Jiří. Lone pair–pi interactions in biological systems: occurrence, function, and physical origin. \textit{European Biophysics Journal With Biophysics Letters}. New York: Springer, vol.~46, No~8, p.~729-737. ISSN~0175-7571. doi:10.1007/s00249-017-1210-1. 2017.
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