Theoretical insights into the nature of intermolecular interactions in cytosine dimer

被引：12
|
作者：
Czyznikowska, Zaneta [2 ]
Zalesny, Robert [1 ,2 ]
机构：
[1] Wroclaw Univ Technol, Inst Phys & Theoret Chem, PL-50370 Wroclaw, Poland
[2] Natl Hellen Res Fdn, Inst Organ & Pharmaceut Chem, Athens 11635, Greece
来源：
BIOPHYSICAL CHEMISTRY | 2009年 / 139卷 / 2-3期
关键词：
Nature of intermolecular interactions; Stacking; Cytosine; Nucleic acid bases; LIMIT INTERACTION ENERGIES; DENSITY-FUNCTIONAL THEORY; NONEMPIRICAL AB-INITIO; ACID BASE-PAIRS; PERTURBATION-THEORY; STACKING INTERACTIONS; POTENTIAL-ENERGY; DECOMPOSITION; CCSD(T); MP2;
D O I：
10.1016/j.bpc.2008.11.001
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
In this study we discuss stacking interactions in cytosine dimer in conformations appearing in B-DNA crystals. The variational-perturbational scheme was applied for decomposition of the intermolecular interaction energy at the MP2 level of theory. The significant influence of the mutual orientation of cytosine monomers was observed not only on the total intermolecular interaction energy but also on its components: Different components of intermolecular interaction energy depend in different manner on parameters describing mutual orientation of cytosine monomers. (C) 2008 Elsevier B.V. All rights reserved.
引用
收藏
页码：137 / 143
页数：7
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