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Title: Dimerization energetics of DNA minor groove binders
Authors: Kostjukov, V. V.
Miloserdova, Y. G
Shram, O. A.
Rubinson, M. A.
Evstigneev, M. P.
Keywords: chemistry
physical chemistry
intermolecular interaction
peptide group
aromatic ring
energy contributions
Issue Date: 2014
Citation: Dimerization energetics of DNA minor groove binders / V. V. Kostjukov [et al.] // Ukrainian Journal of Physics. - 2014. - Vol.59, №5.-P. 461-472.
Abstract: The energy analysis of a dimerization in aqueous solutions of seven biologically active lexitropsins, which are different by structure, was carried out with the use of the molecular simulation method. The main stabilization of dimers was shown to take place owing to hydrophobic and intermolecular van der Waals interactions. The latter are mainly associated with energyfavorable contacts between the aromatic rings of molecules and their peptide groups. Despite the significant dipole moments of the molecules concerned, the electrostatic interactions are relatively weak and destabilize the complexes because of the unfavorable relative arrangement of molecular dipoles. Entropic factors and the dehydration were shown to also hinder the dimerization
Appears in Collections:Статьи из периодических изданий и сборников (на иностранных языках) = Articles from periodicals and collections (in foreign languages)

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