KOZELKA, Jiří. Lone pair–pi interactions in biological systems: occurrence, function, and physical origin. European Biophysics Journal With Biophysics Letters. New York: Springer, 2017, vol. 46, No 8, p. 729-737. ISSN 0175-7571. Available from: https://dx.doi.org/10.1007/s00249-017-1210-1. |
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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, 2017, vol.~46, No~8, p.~729-737. ISSN~0175-7571. Available from: https://dx.doi.org/10.1007/s00249-017-1210-1.
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